data_2coo_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2coo _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 52.6 tp . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.03 150.14 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.48 160.67 1.26 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 111.157 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -43.57 2.59 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.674 2.25 . . . . 0.0 112.369 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.93 -29.32 70.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.5 t -83.86 -37.22 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -54.81 -33.99 62.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 26' ' ' ALA . 7.5 ttt-85 -77.41 -43.45 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 tp -42.79 -23.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -86.64 -55.07 4.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.098 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -51.14 -23.94 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -84.18 -35.12 23.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -100.79 18.89 18.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 47.39 43.7 15.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.515 HG22 ' CD1' ' A' ' 53' ' ' TYR . 60.7 mt -98.34 135.51 32.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 35' ' ' GLU . 10.1 mptt -82.94 91.76 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.948 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.1 mt -34.02 -58.62 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -45.31 -43.22 10.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 32' ' ' LYS . 77.8 mm-40 -68.78 -33.58 74.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.464 ' CG2' HG23 ' A' ' 31' ' ' ILE . 43.2 t -64.65 101.0 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 p -58.21 101.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.151 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.524 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.786 0.327 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.44 ' CG2' HG12 ' A' ' 36' ' ' VAL . 10.9 mt -78.03 112.0 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.8 mt -91.32 173.42 7.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -57.07 -36.46 70.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.4 -41.87 90.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -51.03 -43.09 60.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.4 mm -58.34 -54.99 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.68 -18.71 55.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -93.35 -17.8 23.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.515 ' CD1' HG22 ' A' ' 31' ' ' ILE . 5.5 t80 -80.79 -35.86 32.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.6 mt -71.93 -42.45 66.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.974 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 tp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.806 0.336 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.04 149.32 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.31 160.61 2.4 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.539 0.685 . . . . 0.0 111.204 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.73 3.15 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.76 2.307 . . . . 0.0 112.309 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.06 -32.68 73.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.3 t -80.29 -37.71 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.186 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -56.01 -24.04 36.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -89.33 -20.29 24.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.17 -22.14 66.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.25 -46.71 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ptm -55.89 -23.51 31.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -86.9 -30.07 21.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -106.98 16.2 24.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 m120 49.14 49.73 19.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.1 mt -104.06 144.04 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 35' ' ' GLU . 2.1 mptt -90.74 96.82 10.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' LYS . 10.7 mt -36.45 -57.51 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.973 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 t -50.92 -37.09 41.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' LYS . 81.1 mm-40 -73.74 -23.4 59.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.0 t -73.59 121.71 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 67.3 t -71.02 99.3 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.767 0.318 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.4 mt -70.43 109.59 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.1 mt -81.39 176.95 9.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -63.93 -39.44 94.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -57.8 -47.4 82.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -43.07 -45.16 5.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.7 mm -59.3 -52.62 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.7 mt -58.86 -15.82 14.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -96.87 -13.67 22.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.473 ' C ' ' CD1' ' A' ' 53' ' ' TYR . 3.2 t80 -85.58 -29.08 24.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.7 mt -78.75 -44.45 23.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.884 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 tt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.839 0.352 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.83 144.86 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.065 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.22 160.64 4.67 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.603 0.716 . . . . 0.0 111.13 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.8 -41.13 4.48 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.26 -25.15 67.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.1 t -89.52 -33.89 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.2 mtp85 -61.53 -21.68 64.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.446 ' NH2' ' OE2' ' A' ' 28' ' ' GLU . 9.5 ttt85 -88.74 -26.09 21.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.5 tp -63.94 -21.18 66.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.06 -50.78 5.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.5 ptp -52.82 -28.67 23.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.446 ' OE2' ' NH2' ' A' ' 24' ' ' ARG . 5.4 mm-40 -78.99 -32.09 45.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -105.09 15.83 26.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 m120 51.51 39.92 25.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.522 HG22 ' CE1' ' A' ' 53' ' ' TYR . 92.5 mt -96.23 143.85 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -94.1 93.19 7.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.942 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 32' ' ' LYS . 9.8 mt -34.05 -59.02 0.44 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.0 t -47.93 -41.75 25.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 32' ' ' LYS . 16.0 mm-40 -68.68 -26.09 65.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -73.33 135.28 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.9 t -77.57 99.26 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.493 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.6 ttm-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.823 0.344 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.7 mt -86.26 122.31 38.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.9 mt -93.64 -176.07 3.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -70.51 -39.45 74.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -55.82 -51.25 68.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -40.29 -45.14 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.2 mm -54.94 -51.31 54.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.3 mt -59.87 -20.2 55.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -90.81 -21.52 21.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.522 ' CE1' HG22 ' A' ' 31' ' ' ILE . 12.6 t80 -80.9 -21.77 40.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.9 mt -82.33 -36.09 27.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.889 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.821 0.343 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.57 136.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.055 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.27 160.63 0.35 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.538 0.685 . . . . 0.0 111.203 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -40.86 4.84 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.89 -27.37 69.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.102 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.8 t -86.81 -34.85 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -57.74 -24.23 55.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -85.78 -41.74 14.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.2 tp -44.75 -26.03 0.35 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.35 -48.16 9.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.04 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.0 ptm -57.6 -29.0 64.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -82.29 -29.29 31.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -108.31 17.43 22.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 46.55 50.67 12.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.47 HG23 ' CD1' ' A' ' 53' ' ' TYR . 62.7 mt -109.49 140.98 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 33' ' ' LEU . 4.5 mptt -90.76 92.74 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 32' ' ' LYS . 8.6 mt -34.21 -59.41 0.44 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 t -43.08 -43.01 4.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.796 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' LYS . 77.3 mm-40 -68.61 -34.32 75.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.406 ' CG1' ' HB3' ' A' ' 49' ' ' ASP . 58.4 t -61.36 130.61 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.092 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.3 t -72.39 102.56 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.771 0.319 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.8 mt -78.64 116.13 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 mt -86.53 168.87 13.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -58.59 -43.49 89.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -50.79 -46.89 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.406 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 66.4 m-20 -46.4 -39.92 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.7 mm -61.32 -46.33 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.9 mt -66.13 -17.69 64.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -93.13 -22.64 18.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.541 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 1.5 t80 -79.05 -20.48 48.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.3 mt -84.48 -47.81 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.022 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.875 179.885 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.77 0.319 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.73 156.81 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.77 160.68 13.97 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.536 0.684 . . . . 0.0 111.2 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -39.78 6.1 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.357 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.45 -32.49 74.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.4 t -79.85 -39.16 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -52.46 -27.98 18.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -80.86 -38.85 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.2 tp -48.61 -19.06 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 30' ' ' ASN . . . -92.19 -49.72 6.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.058 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.8 ptp -55.66 -30.59 61.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -79.74 -33.53 40.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -104.18 15.27 28.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 26' ' ' ALA . 36.7 m-20 47.19 48.46 15.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 32' ' ' LYS . 81.2 mt -100.77 142.78 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -89.75 92.76 9.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.2 mt -34.2 -59.59 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -45.12 -41.56 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 32' ' ' LYS . 8.1 mm-40 -69.05 -37.05 78.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.3 t -55.81 121.8 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.1 t -66.84 98.3 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.753 0.311 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 59.5 mt -82.97 124.38 39.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.8 mt -95.57 151.39 19.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.7 -43.18 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.866 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.6 mp0 -50.96 -60.21 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.5 m-20 -34.67 -47.34 0.33 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.2 mm -57.9 -63.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 mt -54.99 -24.74 25.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -86.03 -22.14 27.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 53' ' ' TYR . 3.9 t80 -79.21 -26.34 42.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 39.2 mt -80.11 -47.67 14.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.819 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.784 0.326 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -173.84 154.82 2.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.94 160.54 10.8 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.585 0.707 . . . . 0.0 111.144 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.63 -42.48 3.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.725 2.283 . . . . 0.0 112.369 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.17 -32.72 72.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.9 t -79.18 -39.83 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -53.15 -40.03 63.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' ALA . 11.7 ttt-85 -66.4 -48.08 71.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.5 tp -41.96 -23.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -84.77 -52.16 6.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.047 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.0 ptp -54.88 -26.5 36.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -82.41 -37.94 24.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -98.39 15.52 24.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.3 m120 49.32 44.88 23.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.556 HG23 ' CD1' ' A' ' 53' ' ' TYR . 84.3 mt -98.85 138.82 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.058 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 35' ' ' GLU . 9.6 mptt -86.92 93.63 9.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 32' ' ' LYS . 9.9 mt -34.22 -58.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.2 t -47.05 -41.47 16.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' LYS . 16.4 mm-40 -68.5 -29.66 68.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.6 t -72.19 96.57 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -54.77 96.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.774 0.321 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.8 mt -89.69 114.91 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.1 mt -91.05 170.21 10.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.945 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -57.96 -39.15 77.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -59.69 -39.98 86.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -53.45 -43.63 68.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.1 mm -59.82 -47.28 92.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.8 mt -66.84 -18.47 65.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -94.25 -18.62 21.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.556 ' CD1' HG23 ' A' ' 31' ' ' ILE . 3.4 t80 -80.8 -29.03 36.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.6 mt -78.77 -46.5 18.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.3 tp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.96 164.97 3.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.49 160.71 70.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.522 0.677 . . . . 0.0 111.127 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -40.03 5.81 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.71 -31.54 72.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.4 t -81.03 -37.81 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -54.73 -27.34 40.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 26' ' ' ALA . 9.3 ttt180 -80.21 -44.99 18.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 tp -42.15 -25.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -86.5 -51.76 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -54.25 -26.46 29.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -83.58 -31.21 26.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -105.93 18.02 22.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 48.71 48.93 19.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.496 ' CG2' ' CG2' ' A' ' 36' ' ' VAL . 61.6 mt -101.12 142.07 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 35' ' ' GLU . 6.4 mptt -90.8 92.69 8.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 32' ' ' LYS . 8.8 mt -35.29 -45.15 0.3 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.0 t -57.23 -44.16 83.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 32' ' ' LYS . 5.6 mm-40 -69.19 -34.59 75.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.496 ' CG2' ' CG2' ' A' ' 31' ' ' ILE . 13.9 t -63.8 102.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 81.1 t -61.2 97.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.6 ttm-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.765 0.317 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.4 mt -66.08 117.9 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.2 mt -92.24 167.0 12.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.1 tttt -54.46 -42.6 70.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -52.85 -44.69 66.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -48.88 -44.48 40.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.6 mm -55.92 -50.99 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.51 -21.14 65.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.979 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -87.62 -19.14 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.596 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 2.3 t80 -86.76 -19.57 28.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.1 mt -90.2 -41.23 11.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.8 0.334 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.04 149.92 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.29 160.87 28.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.703 . . . . 0.0 111.114 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -36.18 11.08 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.329 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.31 -37.2 84.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.086 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 47' ' ' LYS . 54.0 t -76.34 -40.02 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.168 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.3 mtp85 -48.92 -32.38 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -79.28 -40.76 29.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.1 tp -49.14 -19.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.42 -51.11 5.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.4 ptp -54.91 -32.6 61.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -78.07 -34.81 50.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.933 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -102.21 19.06 19.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.7 m120 44.16 49.62 7.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.432 HG12 ' CE1' ' A' ' 53' ' ' TYR . 81.3 mt -104.08 139.53 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -90.11 95.46 10.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 32' ' ' LYS . 8.7 mt -35.44 -54.34 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 t -49.76 -41.32 43.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 32' ' ' LYS . 7.7 mm-40 -69.65 -29.3 66.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.413 HG21 ' CD2' ' A' ' 53' ' ' TYR . 44.7 t -70.88 126.97 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.4 t -72.19 103.51 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.791 0.329 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.3 mt -92.28 143.28 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.5 mt -110.6 -177.83 3.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.431 ' N ' HG23 ' A' ' 22' ' ' VAL . 74.0 tttt -68.56 -41.34 79.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -54.55 -47.6 73.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -47.23 -49.31 23.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.1 mm -54.26 -45.14 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.1 mt -66.79 -18.86 65.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -94.64 -19.13 20.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.549 ' C ' ' CD1' ' A' ' 53' ' ' TYR . 1.2 t80 -80.95 -26.4 36.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 36.6 mt -79.16 -47.87 15.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.827 0.346 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.48 133.68 2.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.991 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.81 160.77 0.23 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.527 0.68 . . . . 0.0 111.171 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -39.36 6.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.646 2.231 . . . . 0.0 112.303 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.61 -27.34 68.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.1 t -85.54 -34.98 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.0 mtp85 -57.27 -23.3 47.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -86.75 -36.77 18.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.2 tp -50.83 -22.91 2.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.17 -53.43 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -54.7 -22.11 12.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -90.94 -21.14 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -114.73 14.75 17.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 51.47 51.52 16.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.536 HG21 ' CE1' ' A' ' 53' ' ' TYR . 25.9 mt -115.32 141.89 30.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -94.38 95.63 9.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.83 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 36' ' ' VAL . 9.2 mt -37.49 -59.68 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.1 t -43.89 -37.68 2.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LYS . 5.1 mm-40 -71.15 -32.12 68.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 33' ' ' LEU . 21.4 t -70.32 119.2 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.6 t -69.33 100.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.563 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.742 0.306 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.403 HG21 ' CB ' ' A' ' 49' ' ' ASP . 10.2 mt -67.04 112.04 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mp -80.05 152.24 29.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -45.54 -40.51 8.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -55.93 -41.76 75.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.403 ' CB ' HG21 ' A' ' 45' ' ' ILE . 77.8 m-20 -49.46 -39.89 35.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.0 mm -60.64 -47.7 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.3 mt -66.92 -21.4 65.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -88.85 -24.62 22.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.576 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 1.7 t80 -80.26 -21.61 42.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.467 ' CD2' HD12 ' A' ' 31' ' ' ILE . 49.2 mt -78.96 -43.7 24.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 tp . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.785 0.326 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.28 157.24 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.68 160.77 24.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 111.158 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -37.69 8.65 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -32.75 74.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.1 t -79.72 -39.46 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.403 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 7.1 mtp-105 -49.71 -26.63 3.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -90.14 -24.49 21.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 tp -63.25 -21.0 65.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.05 -42.03 9.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -61.64 -22.51 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -88.29 -30.1 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -102.89 10.66 38.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.1 t30 51.88 45.56 28.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.467 HG22 ' CG ' ' A' ' 53' ' ' TYR . 93.4 mt -102.34 138.03 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.438 ' HB2' ' CG ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -85.53 100.35 11.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.808 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mt -43.38 -50.26 6.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -52.87 -32.04 42.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 14.1 mm-40 -82.86 -18.45 40.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.8 t -86.18 107.39 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.158 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.4 t -66.85 102.31 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.51 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.803 0.335 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 mt -80.64 109.31 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 mt -80.03 -176.02 5.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.5 tttt -70.92 -43.49 68.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -53.44 -46.83 70.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -39.55 -52.75 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.9 mm -52.59 -57.86 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.5 mt -54.03 -18.68 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -93.59 -19.72 20.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.467 ' CG ' HG22 ' A' ' 31' ' ' ILE . 8.4 t80 -82.14 -27.31 32.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.9 mt -75.84 -35.17 60.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.904 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.407 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.697 0.284 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.0 155.21 1.96 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.078 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.4 160.61 23.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.546 0.688 . . . . 0.0 111.119 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -40.56 5.19 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.733 2.289 . . . . 0.0 112.343 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.44 -37.24 82.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.41 HG21 ' CA ' ' A' ' 47' ' ' LYS . 46.3 t -77.43 -39.78 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -52.48 -33.59 45.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 26' ' ' ALA . 14.3 ttm180 -73.92 -48.42 30.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 24' ' ' ARG . 15.1 tp -36.22 -30.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -84.85 -45.7 12.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.025 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' ARG . 2.4 ptm -56.76 -21.61 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.811 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -92.88 -23.34 18.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -109.73 14.26 23.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 m120 48.54 53.27 12.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.428 HD13 ' CD2' ' A' ' 54' ' ' LEU . 69.1 mt -109.09 142.65 21.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.463 ' HE3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -89.34 92.84 9.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.8 mt -34.15 -58.07 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.6 t -44.93 -44.03 9.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.817 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' LYS . 33.5 mm-40 -68.9 -29.95 68.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.414 ' CG2' HG21 ' A' ' 31' ' ' ILE . 40.5 t -69.66 97.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 p -54.8 104.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.54 179.928 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.817 0.341 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.1 mt -73.53 122.38 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 47' ' ' LYS . 21.3 mt -100.33 150.19 22.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 46' ' ' LEU . 28.7 tttm -34.83 -46.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 49' ' ' ASP . 1.8 mp0 -50.2 -60.98 2.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 48' ' ' GLU . 23.0 m-20 -34.41 -40.73 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.3 mm -59.31 -50.74 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' GLU . 36.0 mt -60.8 -18.27 54.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.93 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -89.14 -18.71 26.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.494 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 7.7 t80 -87.67 -21.43 25.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.428 ' CD2' HD13 ' A' ' 31' ' ' ILE . 9.7 mt -87.92 -40.24 14.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.917 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -173.53 138.99 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -42.13 160.64 0.17 Allowed Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.562 0.696 . . . . 0.0 111.108 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 -39.24 6.93 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.656 2.237 . . . . 0.0 112.377 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.52 -30.25 70.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.056 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.5 t -79.87 -36.86 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -56.25 -26.5 51.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -84.73 -39.67 18.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.0 tp -46.87 -23.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.54 -55.38 4.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ptm -49.35 -33.38 13.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -76.76 -27.71 55.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -110.32 19.33 18.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 45.23 42.99 7.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.541 HG22 ' CD1' ' A' ' 53' ' ' TYR . 77.8 mt -97.1 142.15 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HB2' ' CG ' ' A' ' 35' ' ' GLU . 7.0 mptt -90.64 98.13 11.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.3 mt -40.76 -56.37 2.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.1 t -48.23 -33.43 8.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 70.4 mm-40 -75.86 -30.18 58.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.412 ' CG1' ' OD2' ' A' ' 49' ' ' ASP . 13.6 t -73.57 98.01 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.108 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.2 p -62.03 100.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.751 0.31 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.9 mt -82.71 126.8 40.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -99.45 144.89 28.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 46' ' ' LEU . 85.1 tttt -35.65 -39.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -53.32 -53.84 45.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.412 ' OD2' ' CG1' ' A' ' 36' ' ' VAL . 11.9 t0 -42.01 -46.83 4.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.5 mm -53.18 -47.1 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.9 mt -65.02 -18.38 65.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -89.89 -17.68 27.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.541 ' CD1' HG22 ' A' ' 31' ' ' ILE . 2.9 t80 -86.8 -24.41 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.418 ' CD2' HD12 ' A' ' 31' ' ' ILE . 9.6 mt -84.67 -43.53 14.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.831 0.348 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.06 159.57 2.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.064 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.47 160.7 23.2 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.601 0.715 . . . . 0.0 111.144 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.64 -38.46 8.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.631 2.221 . . . . 0.0 112.385 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.62 -32.4 73.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -80.12 -38.94 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.159 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -53.44 -25.97 18.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.799 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' ALA . 3.8 ttt180 -80.29 -48.24 13.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 tp -42.34 -23.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -86.01 -52.89 5.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.028 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.8 ptp -54.6 -28.35 45.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.86 -34.91 57.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -100.65 13.48 34.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 50.47 42.24 26.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.506 HG21 ' CD1' ' A' ' 53' ' ' TYR . 97.4 mt -97.92 135.12 33.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 35' ' ' GLU . 9.0 mptt -78.93 92.53 4.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.4 mt -34.43 -57.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 t -46.25 -41.85 13.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.801 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' LYS . 76.1 mm-40 -68.42 -27.29 66.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.427 ' CG2' HG22 ' A' ' 31' ' ' ILE . 21.4 t -75.5 103.31 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.07 101.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.506 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.759 0.314 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.6 mt -68.11 115.32 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.7 mt -87.6 170.1 11.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -62.99 -37.73 88.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.94 -33.72 72.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -58.75 -40.22 83.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.1 mm -61.5 -48.39 89.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.7 mt -66.67 -17.38 64.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.98 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -91.17 -18.52 24.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.506 ' CD1' HG21 ' A' ' 31' ' ' ILE . 3.2 t80 -84.25 -26.28 28.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.4 mt -82.49 -39.11 22.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.926 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 tp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.786 0.327 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.07 161.56 2.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.55 160.83 70.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.585 0.707 . . . . 0.0 111.131 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -39.7 6.1 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.719 2.28 . . . . 0.0 112.364 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.0 -36.23 80.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.401 HG22 ' N ' ' A' ' 47' ' ' LYS . 54.2 t -79.05 -37.52 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 9.8 mtp-105 -54.04 -30.06 46.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 26' ' ' ALA . 32.0 ttt180 -77.12 -46.99 21.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.4 tp -41.23 -24.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -88.15 -41.92 12.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' ARG . 2.5 ptt? -62.09 -21.76 65.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -87.32 -29.93 21.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -106.44 16.59 24.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 48.19 44.7 19.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.448 HG23 ' CG2' ' A' ' 36' ' ' VAL . 70.5 mt -100.47 134.38 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -82.64 93.76 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.829 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.5 mt -34.11 -59.61 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -42.95 -42.68 3.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' LYS . 73.6 mm-40 -70.16 -31.84 69.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.448 ' CG2' HG23 ' A' ' 31' ' ' ILE . 54.3 t -63.67 107.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.069 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.0 t -54.66 102.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.165 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.52 179.952 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.823 0.344 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.9 mt -78.61 118.19 25.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.6 mt -94.89 171.17 8.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.401 ' N ' HG22 ' A' ' 22' ' ' VAL . 31.3 tttp -56.28 -41.92 76.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.22 -48.78 73.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.412 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 75.0 m-20 -40.57 -52.05 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.2 mm -52.22 -57.92 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.196 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.0 mt -56.65 -18.08 10.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.045 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -90.29 -22.97 21.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.961 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.543 ' C ' ' CD1' ' A' ' 53' ' ' TYR . 1.4 t80 -81.54 -25.79 35.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.6 mt -79.03 -45.08 20.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.884 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.888 0.375 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.84 123.1 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.071 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -39.71 160.87 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.596 0.713 . . . . 0.0 111.117 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 -36.03 11.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.72 2.28 . . . . 0.0 112.322 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -28.87 65.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.196 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.2 t -84.29 -36.36 11.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -56.67 -19.22 15.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -91.16 -40.54 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.3 tp -50.93 -19.79 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.03 -53.71 4.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.1 ptp -51.85 -29.1 18.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -82.14 -23.69 35.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -113.9 16.75 18.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 45.48 51.51 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.476 HG23 ' CD1' ' A' ' 53' ' ' TYR . 68.7 mt -105.04 138.64 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -88.94 98.01 11.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.948 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 36' ' ' VAL . 9.3 mt -42.21 -55.86 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.8 t -44.33 -33.07 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -77.41 -33.19 55.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 49' ' ' ASP . 18.6 t -70.71 127.51 32.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.2 t -74.96 97.89 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.408 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.516 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.732 0.301 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.41 HD12 ' CD2' ' A' ' 33' ' ' LEU . 9.7 mt -76.15 136.04 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.2 mt -101.69 167.9 9.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -59.34 -37.49 77.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -57.78 -44.94 86.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.445 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 87.2 m-20 -49.56 -46.69 49.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.8 mm -53.17 -52.46 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.3 mt -59.04 -16.73 20.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -93.18 -13.67 28.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.476 ' CD1' HG23 ' A' ' 31' ' ' ILE . 7.2 t80 -89.16 -28.32 20.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.1 mt -80.52 -35.43 34.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.87 0.367 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.15 143.04 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.47 160.96 38.29 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.599 0.714 . . . . 0.0 111.14 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -29.25 24.06 Favored 'Trans proline' 0 N--CA 1.466 -0.125 0 C-N-CA 122.739 2.293 . . . . 0.0 112.335 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.93 -35.96 64.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.046 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.8 t -80.65 -37.77 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -50.28 -27.94 6.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -85.88 -28.39 24.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.1 tp -58.64 -21.87 55.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.52 -53.06 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.1 ptm -50.27 -26.56 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -86.46 -31.04 21.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -106.12 19.59 20.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 42.75 52.72 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.6 mt -108.19 135.47 46.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -85.51 95.42 9.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mt -37.54 -55.48 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -46.88 -39.3 11.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LYS . 7.3 mm-40 -70.24 -37.12 74.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.4 t -63.89 124.1 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.1 t -74.12 95.59 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.502 179.953 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.722 0.296 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.2 mt -97.65 117.19 41.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.9 mt -86.78 161.88 18.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -53.74 -38.6 64.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.22 -45.17 75.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -51.41 -47.78 62.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.9 mm -52.81 -53.61 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.4 mt -61.73 -17.61 56.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -88.47 -21.15 24.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -85.61 -25.57 26.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 45.6 mt -82.96 -35.85 25.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.918 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.04 152.8 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.78 160.69 5.42 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.592 0.71 . . . . 0.0 111.136 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -40.9 4.68 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.706 2.27 . . . . 0.0 112.385 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.62 -31.63 71.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.0 t -83.79 -38.75 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -55.5 -20.5 13.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -88.57 -37.68 15.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.9 tp -49.37 -22.04 1.03 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.62 -44.18 9.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.6 ptm -61.68 -21.76 64.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -90.89 -23.96 20.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -109.67 12.82 24.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 52.19 43.86 30.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.495 HG22 ' CE1' ' A' ' 53' ' ' TYR . 58.5 mt -100.35 139.67 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.4 mppt? -85.9 95.58 9.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 32' ' ' LYS . 10.0 mt -34.97 -56.31 0.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.4 t -49.59 -40.72 39.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' LYS . 5.9 mm-40 -69.31 -25.34 64.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -74.51 115.45 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.2 t -69.14 96.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.496 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.4 mt -69.97 130.35 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.208 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.8 mt -105.14 169.94 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -57.89 -40.72 80.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -52.63 -53.43 47.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -42.47 -48.26 5.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.1 mm -52.59 -56.02 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.0 mt -55.22 -19.67 8.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -91.52 -18.83 23.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.495 ' CE1' HG22 ' A' ' 31' ' ' ILE . 14.6 t80 -81.86 -33.59 30.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.4 mt -70.48 -37.1 74.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.9 tp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.817 0.341 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -158.05 140.48 14.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.18 160.77 0.83 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.565 0.698 . . . . 0.0 111.171 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -35.48 12.39 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.254 . . . . 0.0 112.312 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.44 -30.6 68.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.059 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.0 t -82.49 -38.45 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -53.91 -31.18 49.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -75.25 -43.16 53.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.4 tp -47.79 -19.41 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.55 -45.94 9.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.429 ' HG3' ' N ' ' A' ' 28' ' ' GLU . 3.7 ptp -56.41 -27.33 56.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' A' ' 27' ' ' MET . 13.9 mm-40 -82.18 -34.6 28.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 30' ' ' ASN . 63.9 m-80 -101.61 12.94 36.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 6.3 p-10 45.41 41.45 6.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.568 HG22 ' CD1' ' A' ' 53' ' ' TYR . 55.8 mt -95.51 141.63 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -86.13 102.69 14.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.913 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 mt -45.09 -55.27 5.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.4 t -48.77 -35.75 15.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -77.26 -23.04 51.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.6 t -73.55 121.97 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.1 t -70.18 101.86 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.453 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.768 0.318 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.5 mt -83.48 130.42 35.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.4 mt -99.27 175.25 5.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.961 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -66.62 -37.8 85.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.04 -28.11 67.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -62.85 -48.63 78.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 mm -52.54 -50.26 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.5 mt -61.79 -16.56 50.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -91.05 -28.93 17.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CD1' HG22 ' A' ' 31' ' ' ILE . 3.7 t80 -74.18 -24.66 59.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.5 mt -76.95 -43.53 34.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.896 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.5 tp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.8 0.334 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.02 150.91 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.2 p -55.32 156.28 8.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.559 0.695 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -30.62 21.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.746 2.297 . . . . 0.0 112.313 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.65 -36.74 76.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.463 HG22 ' N ' ' A' ' 47' ' ' LYS . 21.5 t -75.85 -40.22 38.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -52.83 -35.39 57.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 26' ' ' ALA . 24.1 ttt180 -67.77 -50.19 58.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.8 tp -39.2 -25.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -81.64 -50.75 8.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.093 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.443 ' HG3' ' N ' ' A' ' 28' ' ' GLU . 4.5 ptp -51.74 -28.14 14.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' ' 27' ' ' MET . 8.5 mt-10 -80.03 -36.73 35.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.848 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -100.28 18.61 18.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m120 44.33 46.54 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.55 HG23 ' CD1' ' A' ' 53' ' ' TYR . 84.5 mt -99.93 137.19 28.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.179 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -86.24 94.08 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.4 mt -34.63 -59.58 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.7 t -45.65 -40.72 9.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 32' ' ' LYS . 80.6 mm-40 -69.67 -36.1 75.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.431 HG23 ' CD2' ' A' ' 53' ' ' TYR . 57.9 t -60.42 129.82 23.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.1 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.8 t -78.18 103.29 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.771 0.32 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.4 mt -79.27 120.51 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.5 mt -96.95 173.52 7.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' N ' HG22 ' A' ' 22' ' ' VAL . 71.7 tttt -59.34 -42.93 92.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -52.48 -48.05 66.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -43.69 -51.48 7.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.6 mm -47.99 -45.54 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 48.4 mt -65.97 -22.05 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -83.39 -28.58 28.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.55 ' CD1' HG23 ' A' ' 31' ' ' ILE . 4.8 t80 -79.04 -20.19 49.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.412 ' HG ' ' CD1' ' A' ' 31' ' ' ILE . 66.2 mt -87.46 -46.4 9.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.914 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.16 125.78 3.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.045 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.37 161.03 0.22 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.623 0.725 . . . . 0.0 111.14 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.82 -32.13 18.9 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.91 -29.3 66.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.8 t -87.1 -34.33 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -57.93 -28.99 64.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -77.67 -36.18 51.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 tp -53.25 -24.31 11.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.64 -54.39 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -52.9 -28.56 23.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -80.2 -36.6 34.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -101.18 15.7 27.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 t30 50.33 45.21 26.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.475 HG12 ' CE1' ' A' ' 53' ' ' TYR . 74.1 mt -102.51 143.74 14.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -95.36 93.45 7.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.801 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' LYS . 7.9 mt -34.18 -59.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.3 t -44.44 -45.23 8.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' LYS . 57.3 mm-40 -69.27 -28.68 66.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.427 ' CG2' HG23 ' A' ' 31' ' ' ILE . 59.4 t -71.34 114.45 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.56 100.17 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.564 ' CZ ' ' CD2' ' A' ' 46' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.816 0.341 . . . . 0.0 110.833 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.2 mt -117.98 107.38 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.564 ' CD2' ' CZ ' ' A' ' 44' ' ' ARG . 6.0 mt -86.41 166.41 15.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -54.22 -38.09 65.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -55.28 -44.92 76.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -54.05 -36.98 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.797 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.8 mm -62.68 -45.33 99.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.7 mt -64.81 -18.96 65.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -87.36 -18.29 30.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.475 ' CE1' HG12 ' A' ' 31' ' ' ILE . 5.3 t80 -85.41 -31.57 22.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.5 mt -78.71 -39.02 37.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.939 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t 45.76 41.84 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.832 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.1 m -97.12 139.52 32.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.82 164.75 23.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -89.56 133.83 34.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.81 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m -37.42 -51.01 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.3 178.0 15.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -142.96 145.24 32.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.736 0.303 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -140.56 171.42 14.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -131.06 145.62 52.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.0 tt -119.62 144.81 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.061 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -41.63 161.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.58 58.4 0.24 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.472 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -64.77 -57.96 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -73.38 125.72 28.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 m -87.32 143.46 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.172 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 52.6 tp -102.82 103.17 13.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.03 150.14 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.48 160.67 1.26 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 111.157 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -43.57 2.59 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.674 2.25 . . . . 0.0 112.369 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.93 -29.32 70.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.5 t -83.86 -37.22 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -54.81 -33.99 62.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 26' ' ' ALA . 7.5 ttt-85 -77.41 -43.45 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 tp -42.79 -23.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -86.64 -55.07 4.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.098 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -51.14 -23.94 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -84.18 -35.12 23.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -100.79 18.89 18.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 47.39 43.7 15.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.515 HG22 ' CD1' ' A' ' 53' ' ' TYR . 60.7 mt -98.34 135.51 32.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 35' ' ' GLU . 10.1 mptt -82.94 91.76 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.948 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.1 mt -34.02 -58.62 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -45.31 -43.22 10.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 32' ' ' LYS . 77.8 mm-40 -68.78 -33.58 74.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.464 ' CG2' HG23 ' A' ' 31' ' ' ILE . 43.2 t -64.65 101.0 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 p -58.21 101.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.151 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.01 152.89 27.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.524 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 40' ' ' GLY . 2.4 t -106.7 -47.97 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.855 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -36.25 149.29 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -37.84 -65.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -77.66 54.1 1.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 45.75 20.45 0.42 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.448 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -66.41 119.6 11.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 110.823 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.44 ' CG2' HG12 ' A' ' 36' ' ' VAL . 10.9 mt -78.03 112.0 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.8 mt -91.32 173.42 7.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -57.07 -36.46 70.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.4 -41.87 90.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -51.03 -43.09 60.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.4 mm -58.34 -54.99 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.68 -18.71 55.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -93.35 -17.8 23.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.515 ' CD1' HG22 ' A' ' 31' ' ' ILE . 5.5 t80 -80.79 -35.86 32.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.6 mt -71.93 -42.45 66.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.974 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -59.75 -24.64 64.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -94.52 -33.93 12.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -71.47 -32.47 68.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.7 p -68.19 -38.75 82.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.04 48.87 1.19 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.527 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.79 173.4 10.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.332 . . . . 0.0 111.111 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.2 pt -97.8 110.75 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -139.12 147.77 54.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.664 0.745 . . . . 0.0 110.875 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 169.57 18.59 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' SER . 53.1 Cg_endo -69.8 -43.65 2.5 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.366 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' PRO . 46.4 p 37.02 39.59 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 133.39 -178.14 18.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.432 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -30.23 22.4 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.626 2.217 . . . . 0.0 112.374 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 t -50.05 139.97 13.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.0 m -148.6 125.57 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -81.97 119.58 24.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.369 . . . . 0.0 110.867 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.7 p -170.0 150.82 3.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.812 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.04 167.0 27.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.45 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 m -90.1 -58.66 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.831 0.348 . . . . 0.0 110.855 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -77.23 160.59 28.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.68 -143.23 3.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -148.08 128.84 14.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.731 0.301 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.9 pm0 -167.64 149.35 5.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -152.84 147.42 26.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 tt -131.04 147.3 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' N ' ' HE3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -82.27 139.2 34.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -164.3 170.26 39.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -112.94 -53.48 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.923 0.392 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -93.19 157.95 16.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -119.2 147.96 43.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.161 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 tp -111.23 110.62 21.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.04 149.32 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.31 160.61 2.4 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.539 0.685 . . . . 0.0 111.204 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.73 3.15 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.76 2.307 . . . . 0.0 112.309 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.06 -32.68 73.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.3 t -80.29 -37.71 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.186 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -56.01 -24.04 36.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -89.33 -20.29 24.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.17 -22.14 66.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.25 -46.71 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ptm -55.89 -23.51 31.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -86.9 -30.07 21.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -106.98 16.2 24.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 m120 49.14 49.73 19.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.1 mt -104.06 144.04 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 35' ' ' GLU . 2.1 mptt -90.74 96.82 10.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' LYS . 10.7 mt -36.45 -57.51 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.973 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 t -50.92 -37.09 41.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' LYS . 81.1 mm-40 -73.74 -23.4 59.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.0 t -73.59 121.71 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 67.3 t -71.02 99.3 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.08 168.75 6.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 t -125.23 -42.3 2.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.919 0.39 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -39.93 158.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -52.46 -51.94 56.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.788 0.328 . . . . 0.0 110.818 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -86.73 31.71 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.74 -7.44 26.83 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -40.04 110.35 0.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.767 0.318 . . . . 0.0 110.839 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.4 mt -70.43 109.59 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.1 mt -81.39 176.95 9.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -63.93 -39.44 94.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -57.8 -47.4 82.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -43.07 -45.16 5.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.7 mm -59.3 -52.62 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.7 mt -58.86 -15.82 14.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -96.87 -13.67 22.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.473 ' C ' ' CD1' ' A' ' 53' ' ' TYR . 3.2 t80 -85.58 -29.08 24.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.7 mt -78.75 -44.45 23.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -49.6 -31.19 10.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -73.39 -29.16 62.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -85.21 -40.69 16.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.0 p -56.3 -20.25 17.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -104.75 43.65 1.63 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -132.89 160.22 37.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.694 0.283 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.3 pt -82.41 38.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 pp -93.6 145.39 29.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 150.43 68.46 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.734 2.289 . . . . 0.0 112.35 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 105.02 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.307 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.9 p -114.37 104.84 12.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.03 146.23 16.82 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.5 Cg_endo -69.8 -4.5 14.18 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.283 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 67' ' ' PRO . 75.0 m -34.63 -70.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.3 t -54.02 -55.54 26.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.557 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 t -169.67 144.27 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.845 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -131.2 161.26 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.14 103.61 0.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 m -108.49 116.77 32.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.9 m -98.04 146.27 25.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.77 104.01 1.57 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -101.21 -53.56 2.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.65 0.262 . . . . 0.0 110.818 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 59.42 43.08 16.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -153.42 136.53 15.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.6 tt -89.48 116.51 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -62.55 120.26 10.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.79 156.35 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -118.3 84.93 2.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -169.39 144.08 2.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 t -144.57 171.49 14.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 tt -86.73 106.51 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.83 144.86 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.065 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.22 160.64 4.67 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.603 0.716 . . . . 0.0 111.13 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.8 -41.13 4.48 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.26 -25.15 67.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.1 t -89.52 -33.89 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.2 mtp85 -61.53 -21.68 64.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.446 ' NH2' ' OE2' ' A' ' 28' ' ' GLU . 9.5 ttt85 -88.74 -26.09 21.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.5 tp -63.94 -21.18 66.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.06 -50.78 5.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.5 ptp -52.82 -28.67 23.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.446 ' OE2' ' NH2' ' A' ' 24' ' ' ARG . 5.4 mm-40 -78.99 -32.09 45.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -105.09 15.83 26.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 m120 51.51 39.92 25.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.522 HG22 ' CE1' ' A' ' 53' ' ' TYR . 92.5 mt -96.23 143.85 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -94.1 93.19 7.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.942 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 32' ' ' LYS . 9.8 mt -34.05 -59.02 0.44 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.0 t -47.93 -41.75 25.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 32' ' ' LYS . 16.0 mm-40 -68.68 -26.09 65.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -73.33 135.28 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.9 t -77.57 99.26 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.78 138.91 43.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.493 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m -88.56 -41.26 12.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.367 . . . . 0.0 110.829 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.14 172.98 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -71.97 -61.87 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.773 0.321 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' ARG . 67.1 m-20 -75.93 63.98 1.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.832 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.9 24.91 0.19 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.591 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' ASP . 34.6 ttm-85 -76.19 119.39 20.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.823 0.344 . . . . 0.0 110.839 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.7 mt -86.26 122.31 38.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.9 mt -93.64 -176.07 3.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -70.51 -39.45 74.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -55.82 -51.25 68.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -40.29 -45.14 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.2 mm -54.94 -51.31 54.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.3 mt -59.87 -20.2 55.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -90.81 -21.52 21.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.522 ' CE1' HG22 ' A' ' 31' ' ' ILE . 12.6 t80 -80.9 -21.77 40.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.9 mt -82.33 -36.09 27.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.489 ' O ' ' CG2' ' A' ' 58' ' ' THR . 3.0 pt-20 -63.59 -25.8 68.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -74.73 -32.0 61.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -66.06 -62.66 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 55' ' ' GLU . 1.4 p 51.64 26.15 3.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.4 63.95 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.46 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -123.53 97.52 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.759 0.314 . . . . 0.0 111.143 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 mt 43.87 44.0 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.4 mt -91.7 147.67 35.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.555 0.693 . . . . 0.0 110.982 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 148.69 65.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -50.77 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.295 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -47.5 151.43 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.83 163.54 45.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -37.11 9.71 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.246 . . . . 0.0 112.394 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.7 p -57.1 119.0 5.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.8 p -123.45 167.25 14.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.0 p -111.0 -44.96 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.5 p -111.38 158.6 18.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.64 106.91 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.1 p -170.53 170.5 6.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -92.1 99.09 11.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.27 78.63 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.438 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -85.28 40.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.675 0.274 . . . . 0.0 110.822 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -131.36 83.41 2.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -74.23 93.06 2.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.7 tt -101.36 125.53 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -88.07 -43.61 11.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.64 86.99 0.66 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.6 mtp-105 -67.9 105.96 2.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.351 . . . . 0.0 110.845 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -133.71 103.74 6.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 t -121.96 163.16 19.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.73 105.26 4.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.57 136.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.055 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.27 160.63 0.35 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.538 0.685 . . . . 0.0 111.203 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -40.86 4.84 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.89 -27.37 69.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.102 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.8 t -86.81 -34.85 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -57.74 -24.23 55.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -85.78 -41.74 14.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.2 tp -44.75 -26.03 0.35 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.35 -48.16 9.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.04 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.0 ptm -57.6 -29.0 64.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -82.29 -29.29 31.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -108.31 17.43 22.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 46.55 50.67 12.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.47 HG23 ' CD1' ' A' ' 53' ' ' TYR . 62.7 mt -109.49 140.98 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 33' ' ' LEU . 4.5 mptt -90.76 92.74 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 32' ' ' LYS . 8.6 mt -34.21 -59.41 0.44 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 t -43.08 -43.01 4.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.796 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' LYS . 77.3 mm-40 -68.61 -34.32 75.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.406 ' CG1' ' HB3' ' A' ' 49' ' ' ASP . 58.4 t -61.36 130.61 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.092 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.3 t -72.39 102.56 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.22 135.12 36.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.439 ' HB3' ' CD1' ' A' ' 46' ' ' LEU . 34.9 t -84.13 -48.89 9.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.976 0.417 . . . . 0.0 110.898 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -43.5 166.42 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.464 ' HE3' ' N ' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -76.15 -49.41 17.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.3 47.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.03 21.39 24.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.401 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -74.9 108.99 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.8 mt -78.64 116.13 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 39' ' ' SER . 10.9 mt -86.53 168.87 13.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -58.59 -43.49 89.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -50.79 -46.89 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.406 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 66.4 m-20 -46.4 -39.92 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.7 mm -61.32 -46.33 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.9 mt -66.13 -17.69 64.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -93.13 -22.64 18.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.541 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 1.5 t80 -79.05 -20.48 48.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.3 mt -84.48 -47.81 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.022 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 4.8 pt-20 -50.48 -30.95 13.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 55' ' ' GLU . 46.6 mtmt -70.91 -34.16 71.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 58' ' ' THR . 3.3 mm100 -78.72 -54.75 5.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' GLN . 71.8 p -36.43 -50.31 0.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.108 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -41.79 -87.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.54 120.04 4.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.738 0.304 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.4 pt -120.24 111.51 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.6 mt -139.67 144.1 37.82 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.588 0.709 . . . . 0.0 110.945 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.21 54.28 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.716 2.277 . . . . 0.0 112.342 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 125.61 12.3 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.7 m -60.22 89.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.98 146.58 18.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -40.37 5.32 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.636 2.224 . . . . 0.0 112.335 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.6 t -60.13 116.93 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -128.61 84.01 2.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.515 -179.887 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -119.08 -43.82 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.871 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 t -94.95 107.87 19.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.764 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.94 137.29 0.66 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.521 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 t -105.65 -46.96 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 p -57.43 117.79 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.06 174.86 34.56 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.1 m80 -67.13 122.46 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 110.811 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -106.39 -44.18 4.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 56.3 45.54 22.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 12' ' ' LYS . 4.2 tp -49.21 146.43 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.161 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.419 ' N ' HG13 ' A' ' 11' ' ' ILE . 20.6 pttp -58.58 133.58 55.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.61 74.79 0.41 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.425 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -57.39 -56.08 26.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -127.38 81.57 2.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 m -50.82 148.4 4.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.48 103.08 15.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.73 156.81 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.77 160.68 13.97 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.536 0.684 . . . . 0.0 111.2 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -39.78 6.1 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.357 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.45 -32.49 74.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.4 t -79.85 -39.16 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -52.46 -27.98 18.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -80.86 -38.85 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.2 tp -48.61 -19.06 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 30' ' ' ASN . . . -92.19 -49.72 6.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.058 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.8 ptp -55.66 -30.59 61.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -79.74 -33.53 40.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -104.18 15.27 28.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 26' ' ' ALA . 36.7 m-20 47.19 48.46 15.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 32' ' ' LYS . 81.2 mt -100.77 142.78 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -89.75 92.76 9.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.2 mt -34.2 -59.59 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -45.12 -41.56 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 32' ' ' LYS . 8.1 mm-40 -69.05 -37.05 78.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.3 t -55.81 121.8 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.1 t -66.84 98.3 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.5 142.82 47.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.6 t -101.14 -43.48 5.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.872 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.68 162.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -65.41 -57.51 8.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.754 0.311 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.98 54.15 1.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.12 16.02 1.81 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.547 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -69.05 119.05 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 59.5 mt -82.97 124.38 39.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.8 mt -95.57 151.39 19.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.7 -43.18 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.866 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.6 mp0 -50.96 -60.21 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.5 m-20 -34.67 -47.34 0.33 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.2 mm -57.9 -63.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 mt -54.99 -24.74 25.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -86.03 -22.14 27.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 53' ' ' TYR . 3.9 t80 -79.21 -26.34 42.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 39.2 mt -80.11 -47.67 14.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -50.65 -27.51 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.819 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -76.12 -34.23 59.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 58' ' ' THR . 2.8 mm100 -79.21 -55.32 5.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 57' ' ' GLN . 82.0 p -34.2 113.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.58 -44.04 1.57 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.428 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 61' ' ' ILE . . . -49.41 97.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.319 . . . . 0.0 111.087 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 60' ' ' ALA . 3.3 mt 36.98 49.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -70.51 145.39 92.73 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.583 0.706 . . . . 0.0 110.954 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 148.86 66.27 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.737 2.291 . . . . 0.0 112.339 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 175.57 8.01 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 0.0 112.279 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -69.9 155.17 40.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -53.73 -94.78 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.529 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 90.37 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.604 2.202 . . . . 0.0 112.316 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.1 t -143.97 149.03 36.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -65.54 -44.87 85.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.466 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -85.53 132.3 34.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -133.03 125.85 30.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.62 159.86 9.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.423 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -158.5 151.15 22.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.854 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -96.26 159.3 15.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.42 116.38 1.25 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -161.44 164.43 29.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -68.85 117.93 11.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' ILE . 9.3 tt0 -87.97 147.12 25.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' GLU . 18.8 tt -37.18 149.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -79.25 -54.4 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.56 170.82 20.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -74.66 -59.23 2.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.402 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -67.79 107.54 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.978 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -57.2 151.87 14.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -109.67 102.54 11.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -173.84 154.82 2.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.94 160.54 10.8 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.585 0.707 . . . . 0.0 111.144 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.63 -42.48 3.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.725 2.283 . . . . 0.0 112.369 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.17 -32.72 72.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.9 t -79.18 -39.83 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -53.15 -40.03 63.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' ALA . 11.7 ttt-85 -66.4 -48.08 71.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.5 tp -41.96 -23.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -84.77 -52.16 6.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.047 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.0 ptp -54.88 -26.5 36.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -82.41 -37.94 24.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -98.39 15.52 24.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.3 m120 49.32 44.88 23.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.556 HG23 ' CD1' ' A' ' 53' ' ' TYR . 84.3 mt -98.85 138.82 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.058 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 35' ' ' GLU . 9.6 mptt -86.92 93.63 9.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 32' ' ' LYS . 9.9 mt -34.22 -58.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.2 t -47.05 -41.47 16.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' LYS . 16.4 mm-40 -68.5 -29.66 68.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.6 t -72.19 96.57 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -54.77 96.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.58 155.02 0.23 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.6 t -105.08 -48.8 3.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.907 0.384 . . . . 0.0 110.84 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.86 155.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -50.8 -52.93 36.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' GLY . 26.2 m-20 -81.9 60.37 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.82 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 42' ' ' ASP . . . 35.81 34.22 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' ASP . 42.9 ttp180 -84.78 131.81 34.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.8 mt -89.69 114.91 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.1 mt -91.05 170.21 10.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.945 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -57.96 -39.15 77.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -59.69 -39.98 86.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -53.45 -43.63 68.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.1 mm -59.82 -47.28 92.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.8 mt -66.84 -18.47 65.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -94.25 -18.62 21.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.556 ' CD1' HG23 ' A' ' 31' ' ' ILE . 3.4 t80 -80.8 -29.03 36.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.6 mt -78.77 -46.5 18.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -49.01 -28.69 4.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -73.78 -31.91 63.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 58' ' ' THR . 27.9 mm-40 -80.27 -64.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 57' ' ' GLN . 1.2 t -34.29 -52.2 0.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.65 65.2 3.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.438 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.87 96.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.746 0.308 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.4 mt 45.98 37.69 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -130.9 149.5 73.88 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 110.913 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 148.62 65.86 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.324 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -175.28 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -53.95 -48.95 69.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.13 146.29 4.3 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.43 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 175.61 7.89 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.712 2.275 . . . . 0.0 112.289 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.3 t -71.66 153.87 41.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.802 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 t -90.0 -48.67 7.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.443 179.924 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -61.4 145.71 50.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -74.39 115.87 14.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.11 -147.49 19.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -110.96 155.68 22.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.2 p -152.39 135.58 15.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.99 108.52 1.93 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 8' ' ' HIS . 11.4 p80 -112.85 99.28 7.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.759 0.314 . . . . 0.0 110.754 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -118.45 153.62 33.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -133.57 80.89 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.458 HG21 ' N ' ' A' ' 12' ' ' LYS . 3.7 tp -75.9 -33.44 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.458 ' N ' HG21 ' A' ' 11' ' ' ILE . 4.8 ttpm? -169.14 161.03 10.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.22 -164.97 13.59 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.491 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.6 ttt-85 -110.63 127.15 55.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.18 144.96 40.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.402 ' CG2' ' HB3' ' A' ' 33' ' ' LEU . 6.8 m -82.16 129.98 34.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.151 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.3 tp -85.97 107.48 17.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.96 164.97 3.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.49 160.71 70.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.522 0.677 . . . . 0.0 111.127 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -40.03 5.81 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.71 -31.54 72.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.4 t -81.03 -37.81 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -54.73 -27.34 40.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 26' ' ' ALA . 9.3 ttt180 -80.21 -44.99 18.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 tp -42.15 -25.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -86.5 -51.76 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -54.25 -26.46 29.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -83.58 -31.21 26.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -105.93 18.02 22.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 48.71 48.93 19.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.496 ' CG2' ' CG2' ' A' ' 36' ' ' VAL . 61.6 mt -101.12 142.07 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 35' ' ' GLU . 6.4 mptt -90.8 92.69 8.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 32' ' ' LYS . 8.8 mt -35.29 -45.15 0.3 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.0 t -57.23 -44.16 83.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 32' ' ' LYS . 5.6 mm-40 -69.19 -34.59 75.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.496 ' CG2' ' CG2' ' A' ' 31' ' ' ILE . 13.9 t -63.8 102.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 81.1 t -61.2 97.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -53.62 171.19 0.79 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' GLY . 1.3 t -122.69 -43.08 2.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.945 0.402 . . . . 0.0 110.858 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -36.64 154.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.498 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.78 -54.25 15.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.707 0.289 . . . . 0.0 110.846 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.68 31.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.59 3.53 58.8 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.6 ttm-85 -53.12 108.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.765 0.317 . . . . 0.0 110.829 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.4 mt -66.08 117.9 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.2 mt -92.24 167.0 12.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.1 tttt -54.46 -42.6 70.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -52.85 -44.69 66.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -48.88 -44.48 40.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.6 mm -55.92 -50.99 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.51 -21.14 65.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.979 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -87.62 -19.14 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.596 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 2.3 t80 -86.76 -19.57 28.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.1 mt -90.2 -41.23 11.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.91 -27.92 2.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -76.71 -33.99 58.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' THR . 2.8 mm100 -78.35 -55.49 5.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 57' ' ' GLN . 74.0 p -34.56 128.05 0.45 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.34 -53.76 0.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.564 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.58 140.88 21.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.8 pt -105.65 40.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.5 mt -69.94 157.91 88.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.585 0.707 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 159.51 53.18 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.741 2.294 . . . . 0.0 112.379 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.33 44.73 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.9 t -126.13 161.89 26.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.52 82.91 0.16 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.565 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 175.91 7.47 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.667 2.245 . . . . 0.0 112.347 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.0 p -135.69 142.51 45.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.6 p -169.52 106.44 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.496 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -149.1 116.38 6.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 p -146.24 146.22 30.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.61 141.35 8.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.456 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -121.44 105.25 10.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 110.843 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 m -91.16 113.91 26.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.18 -120.16 6.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -121.7 171.25 9.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.7 0.286 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -117.09 148.68 41.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 41.01 53.38 3.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.2 tt -86.07 149.15 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.165 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -100.34 -47.99 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.12 21.74 48.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.9 mtp-105 -129.07 157.43 41.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -57.21 150.96 16.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 m -78.68 136.88 37.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.0 mt -91.96 117.63 30.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.04 149.92 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.29 160.87 28.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.703 . . . . 0.0 111.114 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -36.18 11.08 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.329 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.31 -37.2 84.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.086 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 47' ' ' LYS . 54.0 t -76.34 -40.02 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.168 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.3 mtp85 -48.92 -32.38 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -79.28 -40.76 29.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.1 tp -49.14 -19.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.42 -51.11 5.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.4 ptp -54.91 -32.6 61.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -78.07 -34.81 50.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.933 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -102.21 19.06 19.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.7 m120 44.16 49.62 7.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.432 HG12 ' CE1' ' A' ' 53' ' ' TYR . 81.3 mt -104.08 139.53 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -90.11 95.46 10.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 32' ' ' LYS . 8.7 mt -35.44 -54.34 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 t -49.76 -41.32 43.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 32' ' ' LYS . 7.7 mm-40 -69.65 -29.3 66.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.413 HG21 ' CD2' ' A' ' 53' ' ' TYR . 44.7 t -70.88 126.97 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.4 t -72.19 103.51 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.31 148.94 36.51 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.4 t -117.62 -33.71 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.393 . . . . 0.0 110.869 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 44' ' ' ARG . . . -50.78 153.8 3.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -48.07 149.49 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 61.99 38.77 13.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.52 26.69 57.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.522 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 40' ' ' GLY . 10.9 ttt85 -77.17 138.65 39.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.864 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.3 mt -92.28 143.28 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.5 mt -110.6 -177.83 3.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.431 ' N ' HG23 ' A' ' 22' ' ' VAL . 74.0 tttt -68.56 -41.34 79.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -54.55 -47.6 73.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -47.23 -49.31 23.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.1 mm -54.26 -45.14 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.1 mt -66.79 -18.86 65.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -94.64 -19.13 20.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.549 ' C ' ' CD1' ' A' ' 53' ' ' TYR . 1.2 t80 -80.95 -26.4 36.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 36.6 mt -79.16 -47.87 15.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.463 ' HA ' ' CG2' ' A' ' 58' ' ' THR . 10.5 pt-20 -48.35 -32.76 7.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -68.81 -33.85 74.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 59' ' ' GLY . 4.8 mm100 -79.03 -64.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.463 ' CG2' ' HA ' ' A' ' 55' ' ' GLU . 1.4 t -35.29 -31.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 57' ' ' GLN . . . -107.75 68.94 0.22 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -114.81 -178.7 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 111.066 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 pt -91.58 95.72 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 pp -140.74 144.33 35.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.587 0.708 . . . . 0.0 110.923 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.67 149.19 67.11 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.697 2.264 . . . . 0.0 112.376 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 0.75 5.21 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.774 2.316 . . . . 0.0 112.343 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.0 m -38.71 -39.8 0.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 174.5 78.28 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.52 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -1.57 8.64 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.381 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.9 p 55.91 34.99 24.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.6 t -112.75 168.31 9.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.239 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.43 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -54.38 -49.3 70.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.394 . . . . 0.0 110.966 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -48.62 119.14 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.69 -61.65 0.28 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.3 t -163.02 117.88 1.72 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.835 0.35 . . . . 0.0 110.779 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 m -76.16 142.73 41.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.47 -88.73 1.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.557 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -74.21 155.44 38.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.686 0.279 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -121.19 -47.84 2.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -137.21 155.29 49.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 tt -90.71 148.99 4.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -85.7 -40.8 15.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.47 81.58 1.6 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.2 mtt-85 -97.77 84.29 3.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.938 0.399 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -79.8 159.57 26.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 t -134.83 167.73 20.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.33 102.25 8.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.48 133.68 2.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.991 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.81 160.77 0.23 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.527 0.68 . . . . 0.0 111.171 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -39.36 6.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.646 2.231 . . . . 0.0 112.303 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.61 -27.34 68.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.1 t -85.54 -34.98 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.0 mtp85 -57.27 -23.3 47.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -86.75 -36.77 18.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.2 tp -50.83 -22.91 2.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.17 -53.43 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -54.7 -22.11 12.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -90.94 -21.14 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -114.73 14.75 17.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 51.47 51.52 16.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.536 HG21 ' CE1' ' A' ' 53' ' ' TYR . 25.9 mt -115.32 141.89 30.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -94.38 95.63 9.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.83 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 36' ' ' VAL . 9.2 mt -37.49 -59.68 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.1 t -43.89 -37.68 2.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LYS . 5.1 mm-40 -71.15 -32.12 68.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 33' ' ' LEU . 21.4 t -70.32 119.2 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.6 t -69.33 100.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.11 155.46 21.86 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.563 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.4 m -118.93 -37.25 3.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 110.827 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.47 ' CA ' HD12 ' A' ' 46' ' ' LEU . . . -40.27 156.91 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.52 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -36.52 -70.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.763 0.316 . . . . 0.0 110.892 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -81.73 55.81 2.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.28 18.02 2.07 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.539 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -64.74 113.36 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 110.911 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.403 HG21 ' CB ' ' A' ' 49' ' ' ASP . 10.2 mt -67.04 112.04 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.47 HD12 ' CA ' ' A' ' 40' ' ' GLY . 6.1 mp -80.05 152.24 29.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -45.54 -40.51 8.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -55.93 -41.76 75.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.403 ' CB ' HG21 ' A' ' 45' ' ' ILE . 77.8 m-20 -49.46 -39.89 35.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.0 mm -60.64 -47.7 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.3 mt -66.92 -21.4 65.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -88.85 -24.62 22.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.576 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 1.7 t80 -80.26 -21.61 42.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.467 ' CD2' HD12 ' A' ' 31' ' ' ILE . 49.2 mt -78.96 -43.7 24.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -56.73 -25.65 55.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -82.95 -42.29 17.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -71.78 -30.83 65.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 51.8 p -69.67 -42.77 73.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.205 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -92.0 44.1 2.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.46 ' HB3' ' CD1' ' A' ' 62' ' ' LEU . . . -98.87 178.03 5.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.656 0.265 . . . . 0.0 111.154 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.9 pt -112.34 37.17 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.173 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 60' ' ' ALA . 3.3 mp -52.95 152.74 6.85 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.684 0.754 . . . . 0.0 110.947 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 148.69 65.57 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.71 -35.03 13.54 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.309 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.7 m -38.87 118.43 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -130.03 66.92 0.57 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -16.46 37.66 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.712 2.275 . . . . 0.0 112.414 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.3 m -93.03 -59.42 2.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.6 p -103.1 125.79 49.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 p -113.61 172.19 7.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.6 p -129.28 -53.26 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.14 141.43 1.74 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.549 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -161.33 145.18 13.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.391 . . . . 0.0 110.837 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 p -173.42 161.72 4.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.26 52.29 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.535 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -170.93 148.23 2.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.795 0.331 . . . . 0.0 110.81 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -167.06 106.24 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -139.18 123.96 18.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.816 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.1 tt -141.78 154.51 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.197 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -104.14 173.64 6.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.05 -172.8 19.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -133.76 92.68 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt -133.21 136.39 45.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.18 139.2 48.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 tp -84.14 106.44 15.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.28 157.24 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.68 160.77 24.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 111.158 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -37.69 8.65 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -32.75 74.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.1 t -79.72 -39.46 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.403 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 7.1 mtp-105 -49.71 -26.63 3.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -90.14 -24.49 21.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 tp -63.25 -21.0 65.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.05 -42.03 9.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -61.64 -22.51 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -88.29 -30.1 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -102.89 10.66 38.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.1 t30 51.88 45.56 28.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.467 HG22 ' CG ' ' A' ' 53' ' ' TYR . 93.4 mt -102.34 138.03 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' HB2' ' CG ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -85.53 100.35 11.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.808 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mt -43.38 -50.26 6.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -52.87 -32.04 42.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 14.1 mm-40 -82.86 -18.45 40.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.8 t -86.18 107.39 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.158 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.4 t -66.85 102.31 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.65 146.43 49.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.51 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 40' ' ' GLY . 3.9 m -83.02 -38.11 23.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.819 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -35.56 153.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.558 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -57.43 -49.8 75.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -84.27 22.1 1.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.56 0.77 90.08 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.391 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -49.32 120.85 4.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 mt -80.64 109.31 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 mt -80.03 -176.02 5.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.5 tttt -70.92 -43.49 68.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -53.44 -46.83 70.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -39.55 -52.75 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.9 mm -52.59 -57.86 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.5 mt -54.03 -18.68 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -93.59 -19.72 20.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.467 ' CG ' HG22 ' A' ' 31' ' ' ILE . 8.4 t80 -82.14 -27.31 32.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.9 mt -75.84 -35.17 60.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.452 ' O ' ' CG2' ' A' ' 58' ' ' THR . 3.0 pt-20 -64.0 -26.14 68.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -73.96 -29.14 61.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -68.6 -64.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.452 ' CG2' ' O ' ' A' ' 55' ' ' GLU . 3.0 p 54.64 36.72 26.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.64 -40.53 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.94 -176.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.73 0.3 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 pt -96.73 104.88 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.68 156.42 56.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.588 0.709 . . . . 0.0 110.938 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 166.51 27.33 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.712 2.274 . . . . 0.0 112.355 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -40.42 5.49 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.738 2.292 . . . . 0.0 112.379 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.2 m -66.27 116.22 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -139.84 83.36 0.23 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 143.43 50.72 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.268 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.1 t -145.24 138.9 26.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.1 p -126.76 166.05 18.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.583 -0.207 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 m -127.82 130.24 48.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.351 . . . . 0.0 110.845 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -83.84 156.13 22.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.29 158.65 28.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -170.64 107.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.949 0.404 . . . . 0.0 110.862 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 p -120.65 151.0 40.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.4 74.87 0.27 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -131.4 130.87 43.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.749 0.309 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -147.06 137.46 23.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.45 ' C ' ' CD ' ' A' ' 10' ' ' GLU . 1.3 pp20? -162.35 151.59 15.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.5 tt -125.23 152.0 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -174.84 155.32 2.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.6 81.02 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -153.68 152.27 30.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.903 0.382 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -74.2 81.44 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -41.7 146.7 0.23 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -95.17 97.95 10.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.0 155.21 1.96 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.078 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.4 160.61 23.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.546 0.688 . . . . 0.0 111.119 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -40.56 5.19 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.733 2.289 . . . . 0.0 112.343 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.44 -37.24 82.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.41 HG21 ' CA ' ' A' ' 47' ' ' LYS . 46.3 t -77.43 -39.78 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -52.48 -33.59 45.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 26' ' ' ALA . 14.3 ttm180 -73.92 -48.42 30.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 24' ' ' ARG . 15.1 tp -36.22 -30.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -84.85 -45.7 12.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.025 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' ARG . 2.4 ptm -56.76 -21.61 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.811 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -92.88 -23.34 18.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -109.73 14.26 23.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 m120 48.54 53.27 12.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.428 HD13 ' CD2' ' A' ' 54' ' ' LEU . 69.1 mt -109.09 142.65 21.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.463 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -89.34 92.84 9.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.8 mt -34.15 -58.07 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.6 t -44.93 -44.03 9.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.817 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' LYS . 33.5 mm-40 -68.9 -29.95 68.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.414 ' CG2' HG21 ' A' ' 31' ' ' ILE . 40.5 t -69.66 97.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 p -54.8 104.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.21 148.26 50.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.54 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 40' ' ' GLY . 11.1 m -96.51 -43.36 7.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.017 0.437 . . . . 0.0 110.955 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -37.75 156.47 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.534 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -55.41 -57.62 11.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.88 47.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.86 16.29 7.54 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.446 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -67.35 112.96 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.341 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.1 mt -73.53 122.38 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 47' ' ' LYS . 21.3 mt -100.33 150.19 22.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 46' ' ' LEU . 28.7 tttm -34.83 -46.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 49' ' ' ASP . 1.8 mp0 -50.2 -60.98 2.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 48' ' ' GLU . 23.0 m-20 -34.41 -40.73 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.3 mm -59.31 -50.74 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' GLU . 36.0 mt -60.8 -18.27 54.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.93 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -89.14 -18.71 26.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.494 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 7.7 t80 -87.67 -21.43 25.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.428 ' CD2' HD13 ' A' ' 31' ' ' ILE . 9.7 mt -87.92 -40.24 14.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -48.35 -27.58 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -79.71 -28.77 40.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -84.81 -48.96 8.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.6 p -55.69 -16.07 3.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.178 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.15 -29.96 6.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.29 154.55 37.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.708 0.289 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -70.17 0.16 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.469 ' CD1' ' O ' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -89.0 143.73 31.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.606 0.717 . . . . 0.0 110.963 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.469 ' O ' ' CD1' ' A' ' 62' ' ' LEU . 53.6 Cg_endo -69.82 148.37 64.54 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 65' ' ' SER . 53.9 Cg_endo -69.76 95.53 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 64' ' ' PRO . 3.2 t -35.05 104.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.35 146.19 9.52 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.523 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 123.76 10.44 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.68 2.253 . . . . 0.0 112.318 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.4 t -153.32 108.01 3.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 m -43.3 133.32 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.467 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.41 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 38.87 43.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 110.78 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -71.75 -55.3 7.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.813 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.72 53.74 0.48 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.539 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 m -44.6 158.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -135.22 136.63 41.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.4 130.83 1.27 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -136.38 136.56 39.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.777 0.322 . . . . 0.0 110.803 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 -71.14 -26.95 63.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -108.79 140.73 41.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 12' ' ' LYS . 8.9 tp -103.98 150.55 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.461 ' N ' HG13 ' A' ' 11' ' ' ILE . 16.7 pttm -99.37 41.72 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.97 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.95 77.77 0.47 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.524 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -67.27 -48.81 66.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.863 0.363 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' NZ ' ' HB2' ' A' ' 15' ' ' LYS . 6.6 mtmp? -108.64 170.58 7.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 m -85.89 151.04 24.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.85 108.89 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -173.53 138.99 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -42.13 160.64 0.17 Allowed Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.562 0.696 . . . . 0.0 111.108 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 -39.24 6.93 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.656 2.237 . . . . 0.0 112.377 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.52 -30.25 70.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.056 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.5 t -79.87 -36.86 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -56.25 -26.5 51.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -84.73 -39.67 18.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.0 tp -46.87 -23.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.54 -55.38 4.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ptm -49.35 -33.38 13.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -76.76 -27.71 55.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -110.32 19.33 18.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 45.23 42.99 7.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.541 HG22 ' CD1' ' A' ' 53' ' ' TYR . 77.8 mt -97.1 142.15 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HB2' ' CG ' ' A' ' 35' ' ' GLU . 7.0 mptt -90.64 98.13 11.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.3 mt -40.76 -56.37 2.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.1 t -48.23 -33.43 8.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 70.4 mm-40 -75.86 -30.18 58.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.412 ' CG1' ' OD2' ' A' ' 49' ' ' ASP . 13.6 t -73.57 98.01 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.108 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.2 p -62.03 100.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.89 170.95 42.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.6 m -123.85 -45.12 2.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.372 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' LYS . . . -47.67 139.7 9.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.472 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' GLY . 3.6 ttpm? -36.15 148.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.724 0.297 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 60.07 44.92 12.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.9 20.77 6.57 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.436 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -61.59 112.01 2.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.751 0.31 . . . . 0.0 110.92 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.9 mt -82.71 126.8 40.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -99.45 144.89 28.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 46' ' ' LEU . 85.1 tttt -35.65 -39.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -53.32 -53.84 45.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.412 ' OD2' ' CG1' ' A' ' 36' ' ' VAL . 11.9 t0 -42.01 -46.83 4.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.5 mm -53.18 -47.1 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.9 mt -65.02 -18.38 65.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -89.89 -17.68 27.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.541 ' CD1' HG22 ' A' ' 31' ' ' ILE . 2.9 t80 -86.8 -24.41 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.418 ' CD2' HD12 ' A' ' 31' ' ' ILE . 9.6 mt -84.67 -43.53 14.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.78 -27.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -81.44 -50.91 8.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -31.86 70.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 74.2 p -71.46 106.53 3.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.09 47.14 5.91 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.496 ' O ' ' CD1' ' A' ' 62' ' ' LEU . . . -133.0 174.44 10.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 111.09 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.28 3.29 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.522 ' N ' ' CD1' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -48.06 152.03 1.56 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.59 0.71 . . . . 0.0 110.941 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 147.3 62.54 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.783 2.322 . . . . 0.0 112.378 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 138.79 38.64 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.716 2.277 . . . . 0.0 112.342 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.3 t -118.83 110.19 16.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 47.7 -160.23 0.48 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 102.29 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.726 2.284 . . . . 0.0 112.343 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 93.3 p -124.88 168.09 13.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 t -139.68 165.81 26.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.896 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.944 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.1 m -141.37 144.8 34.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -130.76 161.43 31.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.53 72.1 0.33 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.464 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 m -94.33 104.31 16.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 110.865 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -87.73 98.42 11.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.5 88.5 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -109.36 157.31 19.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.721 0.296 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.08 155.29 3.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 mp0 -118.73 136.13 54.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.0 tt -104.72 -23.75 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -171.13 162.68 7.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.62 62.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -57.26 12.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.865 0.364 . . . . 0.0 110.885 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 pttm -103.43 172.93 6.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -113.65 145.84 40.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 tp -113.37 104.84 12.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.06 159.57 2.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.064 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.47 160.7 23.2 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.601 0.715 . . . . 0.0 111.144 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.64 -38.46 8.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.631 2.221 . . . . 0.0 112.385 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.62 -32.4 73.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -80.12 -38.94 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.159 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -53.44 -25.97 18.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.799 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' ALA . 3.8 ttt180 -80.29 -48.24 13.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 tp -42.34 -23.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -86.01 -52.89 5.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.028 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.8 ptp -54.6 -28.35 45.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.86 -34.91 57.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -100.65 13.48 34.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 50.47 42.24 26.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.506 HG21 ' CD1' ' A' ' 53' ' ' TYR . 97.4 mt -97.92 135.12 33.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 35' ' ' GLU . 9.0 mptt -78.93 92.53 4.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.4 mt -34.43 -57.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 t -46.25 -41.85 13.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.801 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' LYS . 76.1 mm-40 -68.42 -27.29 66.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.427 ' CG2' HG22 ' A' ' 31' ' ' ILE . 21.4 t -75.5 103.31 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.07 101.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.97 178.86 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.506 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.5 m -132.92 -38.88 0.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.964 0.411 . . . . 0.0 110.838 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -41.28 156.82 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -45.46 -56.16 5.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -84.62 32.49 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.44 5.78 56.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -53.13 114.86 1.6 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.759 0.314 . . . . 0.0 110.91 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.6 mt -68.11 115.32 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.7 mt -87.6 170.1 11.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -62.99 -37.73 88.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.94 -33.72 72.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -58.75 -40.22 83.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.1 mm -61.5 -48.39 89.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.7 mt -66.67 -17.38 64.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.98 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -91.17 -18.52 24.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.506 ' CD1' HG21 ' A' ' 31' ' ' ILE . 3.2 t80 -84.25 -26.28 28.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.4 mt -82.49 -39.11 22.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.467 ' O ' ' CG2' ' A' ' 58' ' ' THR . 3.3 pt-20 -55.05 -26.03 34.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -78.03 -21.32 50.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 59' ' ' GLY . 60.2 mm-40 -72.62 -64.62 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 55' ' ' GLU . 12.6 p 33.98 34.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 57' ' ' GLN . . . -147.63 -44.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 62' ' ' LEU . . . -47.69 165.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.331 . . . . 0.0 111.093 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pt -61.96 74.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 60' ' ' ALA . 1.4 pt? -157.03 150.34 18.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.62 0.724 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 143.75 51.92 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.744 2.296 . . . . 0.0 112.337 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -161.57 172.08 16.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.69 63.83 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 129.23 17.18 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.317 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.4 m -65.53 144.76 56.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.3 m -78.31 -60.44 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.544 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 t -148.82 135.26 19.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 110.865 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 p -151.13 148.13 27.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.785 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.38 167.32 30.01 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.483 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.7 p -88.82 -53.83 4.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.905 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.0 p -79.46 -43.05 23.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.77 -93.56 1.72 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.568 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -126.62 88.75 2.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.779 0.324 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -154.38 133.28 12.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -141.16 141.54 34.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.1 tp -91.29 135.23 27.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.472 ' O ' ' CE ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -93.97 -178.13 4.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 179.858 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.462 ' N ' ' HG2' ' A' ' 12' ' ' LYS . . . 151.94 75.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -98.88 -41.21 7.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.352 . . . . 0.0 110.853 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -119.36 105.69 11.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -79.19 154.31 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.205 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 tp -107.17 102.08 11.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.07 161.56 2.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.55 160.83 70.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.585 0.707 . . . . 0.0 111.131 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -39.7 6.1 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.719 2.28 . . . . 0.0 112.364 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.0 -36.23 80.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.401 HG22 ' N ' ' A' ' 47' ' ' LYS . 54.2 t -79.05 -37.52 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 9.8 mtp-105 -54.04 -30.06 46.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 26' ' ' ALA . 32.0 ttt180 -77.12 -46.99 21.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.4 tp -41.23 -24.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -88.15 -41.92 12.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' ARG . 2.5 ptt? -62.09 -21.76 65.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -87.32 -29.93 21.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -106.44 16.59 24.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 48.19 44.7 19.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.448 HG23 ' CG2' ' A' ' 36' ' ' VAL . 70.5 mt -100.47 134.38 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -82.64 93.76 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.829 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.5 mt -34.11 -59.61 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -42.95 -42.68 3.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' LYS . 73.6 mm-40 -70.16 -31.84 69.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.448 ' CG2' HG23 ' A' ' 31' ' ' ILE . 54.3 t -63.67 107.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.069 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.0 t -54.66 102.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.165 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.32 126.03 21.9 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 40' ' ' GLY . 10.3 p -82.52 -44.27 16.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.41 . . . . 0.0 110.869 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -34.52 148.15 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.513 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -45.64 -62.62 1.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -78.94 45.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.843 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.34 9.72 6.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -60.34 121.02 11.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.823 0.344 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.9 mt -78.61 118.19 25.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.6 mt -94.89 171.17 8.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.401 ' N ' HG22 ' A' ' 22' ' ' VAL . 31.3 tttp -56.28 -41.92 76.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.22 -48.78 73.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.412 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 75.0 m-20 -40.57 -52.05 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.2 mm -52.22 -57.92 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.196 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.0 mt -56.65 -18.08 10.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.045 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -90.29 -22.97 21.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.961 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.543 ' C ' ' CD1' ' A' ' 53' ' ' TYR . 1.4 t80 -81.54 -25.79 35.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.6 mt -79.03 -45.08 20.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -51.54 -26.25 8.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -78.5 -26.56 45.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -90.35 -31.41 16.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.8 p -66.45 -17.6 64.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.15 -43.65 98.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -44.46 154.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.044 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.7 mt -117.89 102.17 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 pp -93.89 150.77 39.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.587 0.708 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 148.64 65.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.379 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 82.43 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.237 . . . . 0.0 112.303 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.0 m -127.96 175.18 8.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.09 83.42 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 92.88 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.741 2.294 . . . . 0.0 112.279 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.8 t -90.42 100.03 12.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.0 p -96.34 94.6 7.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.558 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m -127.64 100.69 6.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.929 0.395 . . . . 0.0 110.866 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t -92.29 -59.54 2.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.828 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.26 -104.56 1.63 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.0 m 43.85 41.67 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.4 p -74.72 117.32 16.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.03 168.32 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.457 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -76.16 118.1 18.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.741 0.305 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -42.7 -49.63 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -89.06 126.89 35.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.7 tt -112.42 -17.99 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? 51.33 43.47 29.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.53 163.66 26.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.526 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -87.67 -68.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.913 0.387 . . . . 0.0 110.915 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -56.52 145.01 29.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -142.68 126.64 17.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.83 139.17 33.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.84 123.1 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.071 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -39.71 160.87 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.596 0.713 . . . . 0.0 111.117 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 -36.03 11.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.72 2.28 . . . . 0.0 112.322 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -28.87 65.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.196 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.2 t -84.29 -36.36 11.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -56.67 -19.22 15.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -91.16 -40.54 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.3 tp -50.93 -19.79 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.03 -53.71 4.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.1 ptp -51.85 -29.1 18.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -82.14 -23.69 35.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -113.9 16.75 18.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 45.48 51.51 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.476 HG23 ' CD1' ' A' ' 53' ' ' TYR . 68.7 mt -105.04 138.64 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -88.94 98.01 11.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.948 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 36' ' ' VAL . 9.3 mt -42.21 -55.86 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.8 t -44.33 -33.07 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -77.41 -33.19 55.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 49' ' ' ASP . 18.6 t -70.71 127.51 32.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.2 t -74.96 97.89 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.76 146.33 50.07 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.516 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' GLY . 5.5 t -96.91 -49.44 5.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.901 0.381 . . . . 0.0 110.868 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -34.83 142.62 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.414 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -49.07 -57.03 7.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.987 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -75.87 53.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 45.9 22.98 0.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -79.28 118.07 20.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.732 0.301 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.41 HD12 ' CD2' ' A' ' 33' ' ' LEU . 9.7 mt -76.15 136.04 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.2 mt -101.69 167.9 9.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -59.34 -37.49 77.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -57.78 -44.94 86.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.445 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 87.2 m-20 -49.56 -46.69 49.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.8 mm -53.17 -52.46 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.3 mt -59.04 -16.73 20.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -93.18 -13.67 28.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.476 ' CD1' HG23 ' A' ' 31' ' ' ILE . 7.2 t80 -89.16 -28.32 20.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.1 mt -80.52 -35.43 34.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -57.93 -25.1 60.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -80.81 -10.65 59.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -75.08 -64.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.7 p 47.79 32.94 2.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -154.1 -43.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.466 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.1 137.85 1.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.729 0.3 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.6 pt -91.1 52.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.0 mt -100.14 152.48 37.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.543 0.687 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 168.62 21.05 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.409 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 135.65 31.18 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.702 2.268 . . . . 0.0 112.407 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 t -48.11 -39.52 20.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.93 -159.38 28.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 2.78 3.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.246 . . . . 0.0 112.372 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.1 m 38.95 50.82 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.775 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.5 t -167.07 125.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 m -115.87 145.06 43.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.945 0.402 . . . . 0.0 110.832 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -50.32 110.68 0.43 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.8 95.83 0.11 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.427 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -111.14 85.82 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.941 0.401 . . . . 0.0 110.892 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 p -108.13 120.84 43.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.18 -49.52 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -106.74 98.43 8.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.775 0.322 . . . . 0.0 110.808 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -116.51 68.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -49.87 124.88 10.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.9 tt -88.49 -25.74 5.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.175 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -142.87 141.35 31.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -159.73 -137.88 2.33 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -49.79 -50.1 46.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -87.48 135.63 33.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 m -114.27 133.95 55.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -87.72 124.83 33.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.15 143.04 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.47 160.96 38.29 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.599 0.714 . . . . 0.0 111.14 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -29.25 24.06 Favored 'Trans proline' 0 N--CA 1.466 -0.125 0 C-N-CA 122.739 2.293 . . . . 0.0 112.335 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.93 -35.96 64.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.046 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.8 t -80.65 -37.77 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -50.28 -27.94 6.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -85.88 -28.39 24.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.1 tp -58.64 -21.87 55.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.52 -53.06 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.1 ptm -50.27 -26.56 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -86.46 -31.04 21.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -106.12 19.59 20.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 42.75 52.72 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.6 mt -108.19 135.47 46.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -85.51 95.42 9.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mt -37.54 -55.48 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -46.88 -39.3 11.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LYS . 7.3 mm-40 -70.24 -37.12 74.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.4 t -63.89 124.1 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.1 t -74.12 95.59 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.87 146.85 48.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' GLY . 11.7 p -100.23 -32.61 10.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.948 0.404 . . . . 0.0 110.913 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -37.55 151.5 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.463 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' C ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -58.25 -43.68 87.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.747 0.308 . . . . 0.0 110.927 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.27 29.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.88 3.55 68.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.415 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -58.11 145.15 37.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.722 0.296 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.2 mt -97.65 117.19 41.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.9 mt -86.78 161.88 18.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -53.74 -38.6 64.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.22 -45.17 75.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -51.41 -47.78 62.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.9 mm -52.81 -53.61 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.4 mt -61.73 -17.61 56.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -88.47 -21.15 24.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -85.61 -25.57 26.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 45.6 mt -82.96 -35.85 25.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -57.1 -25.33 58.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -81.93 -25.74 34.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' THR . 7.4 mm100 -72.51 -64.69 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 57' ' ' GLN . 13.1 p 34.08 38.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -157.76 -44.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.43 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -38.8 153.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.74 0.305 . . . . 0.0 111.049 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.9 mm -106.82 85.49 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -101.29 150.79 37.47 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.651 0.739 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 152.02 69.45 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.763 2.309 . . . . 0.0 112.341 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -1.9 9.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -39.98 -47.23 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.18 -161.6 37.59 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 178.36 4.63 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.293 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.1 p -111.31 102.67 11.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 m -114.38 96.58 5.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.515 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -131.08 175.37 9.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.849 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -130.45 140.35 50.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.15 80.58 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 6' ' ' SER . 13.8 m -130.53 113.16 13.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 5' ' ' SER . 33.0 p -34.82 -45.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.04 104.57 1.95 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -144.09 175.49 10.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.746 0.308 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -125.27 92.48 3.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -173.85 123.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 12' ' ' LYS . 2.9 tp -57.76 140.15 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.14 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' N ' HG13 ' A' ' 11' ' ' ILE . 11.3 tptm -50.27 139.79 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.56 82.97 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.529 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -131.67 139.9 49.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.06 95.37 0.72 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -41.14 149.14 0.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -104.63 104.0 13.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.04 152.8 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.78 160.69 5.42 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.592 0.71 . . . . 0.0 111.136 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -40.9 4.68 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.706 2.27 . . . . 0.0 112.385 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.62 -31.63 71.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.0 t -83.79 -38.75 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -55.5 -20.5 13.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -88.57 -37.68 15.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.9 tp -49.37 -22.04 1.03 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.62 -44.18 9.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.6 ptm -61.68 -21.76 64.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -90.89 -23.96 20.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -109.67 12.82 24.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 52.19 43.86 30.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.495 HG22 ' CE1' ' A' ' 53' ' ' TYR . 58.5 mt -100.35 139.67 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.4 mppt? -85.9 95.58 9.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 32' ' ' LYS . 10.0 mt -34.97 -56.31 0.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.4 t -49.59 -40.72 39.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' LYS . 5.9 mm-40 -69.31 -25.34 64.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -74.51 115.45 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.2 t -69.14 96.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.58 166.21 2.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' GLY . 1.4 t -122.66 -39.55 2.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.966 0.412 . . . . 0.0 110.843 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -36.88 154.8 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.515 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -56.61 10.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.749 0.309 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -83.88 37.43 0.6 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.97 -0.81 20.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -52.28 115.51 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.4 mt -69.97 130.35 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.208 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.8 mt -105.14 169.94 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -57.89 -40.72 80.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -52.63 -53.43 47.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -42.47 -48.26 5.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.1 mm -52.59 -56.02 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.0 mt -55.22 -19.67 8.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -91.52 -18.83 23.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.495 ' CE1' HG22 ' A' ' 31' ' ' ILE . 14.6 t80 -81.86 -33.59 30.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.4 mt -70.48 -37.1 74.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -66.8 -26.28 66.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -91.72 -37.97 12.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -63.39 -30.74 71.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 43.4 p -70.02 -37.35 75.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -105.1 55.61 0.56 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 61' ' ' ILE . . . -111.14 162.53 14.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.471 ' C ' ' O ' ' A' ' 60' ' ' ALA . 6.3 pt 32.54 43.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.64 144.13 93.08 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.607 0.717 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 159.57 52.95 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.688 2.259 . . . . 0.0 112.359 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -20.33 34.83 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.4 t -87.66 108.5 19.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 159.7 -90.1 0.11 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.544 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -35.02 13.29 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.704 2.27 . . . . 0.0 112.276 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.6 t -70.21 161.04 31.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.8 t -97.84 154.95 17.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m 61.89 42.23 10.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t 42.75 42.07 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.42 -157.77 7.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.517 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 p -128.56 162.37 27.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 m -84.7 159.72 20.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' CD2' ' A' ' 8' ' ' HIS . . . -109.41 177.95 20.33 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 7' ' ' GLY . 35.2 m170 -146.88 114.46 6.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.787 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -137.31 146.69 44.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -135.67 129.96 33.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 12' ' ' LYS . 8.4 tp -98.88 150.74 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.06 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.469 ' N ' HG13 ' A' ' 11' ' ' ILE . 16.5 ttmt -116.73 123.89 48.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.27 143.29 4.18 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -79.11 -57.65 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.93 0.395 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' CD ' ' NH2' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -112.94 178.83 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.828 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.446 HG23 ' CD1' ' A' ' 45' ' ' ILE . 6.7 t -104.25 163.06 12.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.9 tp -81.32 102.0 10.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -158.05 140.48 14.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.18 160.77 0.83 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.565 0.698 . . . . 0.0 111.171 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -35.48 12.39 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.254 . . . . 0.0 112.312 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.44 -30.6 68.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.059 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.0 t -82.49 -38.45 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.481 ' NH2' ' CD ' ' A' ' 15' ' ' LYS . 53.3 mtp180 -53.91 -31.18 49.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -75.25 -43.16 53.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.4 tp -47.79 -19.41 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.55 -45.94 9.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.429 ' HG3' ' N ' ' A' ' 28' ' ' GLU . 3.7 ptp -56.41 -27.33 56.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' A' ' 27' ' ' MET . 13.9 mm-40 -82.18 -34.6 28.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 30' ' ' ASN . 63.9 m-80 -101.61 12.94 36.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 6.3 p-10 45.41 41.45 6.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.568 HG22 ' CD1' ' A' ' 53' ' ' TYR . 55.8 mt -95.51 141.63 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -86.13 102.69 14.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.913 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.429 HD13 ' CG2' ' A' ' 16' ' ' THR . 8.5 mt -45.09 -55.27 5.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.4 t -48.77 -35.75 15.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -77.26 -23.04 51.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.6 t -73.55 121.97 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.1 t -70.18 101.86 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.75 155.53 44.71 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.453 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.7 t -117.29 -39.96 3.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.012 0.434 . . . . 0.0 110.888 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 44' ' ' ARG . . . -58.31 167.51 6.13 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 42' ' ' ASP . 14.5 tppt? -64.21 154.45 34.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.346 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.434 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 25.3 m-20 56.53 39.76 29.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.49 18.57 63.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 40' ' ' GLY . 37.0 ttm180 -66.01 112.08 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.816 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.446 ' CD1' HG23 ' A' ' 16' ' ' THR . 9.5 mt -83.48 130.42 35.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.4 mt -99.27 175.25 5.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.961 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -66.62 -37.8 85.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.04 -28.11 67.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -62.85 -48.63 78.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 mm -52.54 -50.26 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.5 mt -61.79 -16.56 50.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -91.05 -28.93 17.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CD1' HG22 ' A' ' 31' ' ' ILE . 3.7 t80 -74.18 -24.66 59.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.468 HD23 ' NE2' ' A' ' 57' ' ' GLN . 46.5 mt -76.95 -43.53 34.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -60.81 -26.5 67.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -81.01 -38.56 27.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.468 ' NE2' HD23 ' A' ' 54' ' ' LEU . 2.3 pt20 -76.08 -34.13 59.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.6 p -67.46 104.73 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.9 -13.81 1.14 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.45 -176.31 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.689 0.281 . . . . 0.0 111.196 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.5 pt -81.79 40.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mp -41.46 157.93 0.19 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 110.997 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 162.77 40.75 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.644 2.229 . . . . 0.0 112.368 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -4.78 14.74 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.732 2.288 . . . . 0.0 112.378 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.0 m -68.58 78.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.75 83.35 0.13 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -17.68 37.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t 64.87 52.78 1.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.2 p -140.87 105.34 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.557 -0.217 . . . . 0.0 112.557 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t 52.7 42.2 31.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 110.844 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m 54.06 42.22 31.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.33 107.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.466 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.2 p -95.11 -45.51 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.855 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -125.33 96.07 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.784 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.02 96.63 0.14 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -82.13 113.91 20.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -83.96 41.85 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -103.22 113.25 26.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.9 tp -91.48 -30.72 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.87 -51.12 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.93 106.98 3.02 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 14' ' ' ARG . 23.9 mtm105 -92.1 157.44 16.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.921 0.391 . . . . 0.0 110.907 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -49.2 149.67 1.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 m -80.07 145.86 32.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.163 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.5 tp -103.29 99.77 9.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.02 150.91 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.2 p -55.32 156.28 8.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.559 0.695 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -30.62 21.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.746 2.297 . . . . 0.0 112.313 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.65 -36.74 76.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.463 HG22 ' N ' ' A' ' 47' ' ' LYS . 21.5 t -75.85 -40.22 38.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -52.83 -35.39 57.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 26' ' ' ALA . 24.1 ttt180 -67.77 -50.19 58.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.8 tp -39.2 -25.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -81.64 -50.75 8.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.093 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.443 ' HG3' ' N ' ' A' ' 28' ' ' GLU . 4.5 ptp -51.74 -28.14 14.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' ' 27' ' ' MET . 8.5 mt-10 -80.03 -36.73 35.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.848 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -100.28 18.61 18.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m120 44.33 46.54 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.55 HG23 ' CD1' ' A' ' 53' ' ' TYR . 84.5 mt -99.93 137.19 28.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.179 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -86.24 94.08 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.4 mt -34.63 -59.58 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.7 t -45.65 -40.72 9.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 32' ' ' LYS . 80.6 mm-40 -69.67 -36.1 75.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.431 HG23 ' CD2' ' A' ' 53' ' ' TYR . 57.9 t -60.42 129.82 23.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.1 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.8 t -78.18 103.29 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.51 155.37 14.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 40' ' ' GLY . 7.8 t -116.94 -43.86 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.808 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -36.54 154.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.47 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -48.08 -55.82 9.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.74 0.305 . . . . 0.0 110.821 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -84.36 36.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.29 -0.77 15.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.431 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -50.2 124.64 10.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 110.851 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.4 mt -79.27 120.51 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.5 mt -96.95 173.52 7.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' N ' HG22 ' A' ' 22' ' ' VAL . 71.7 tttt -59.34 -42.93 92.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -52.48 -48.05 66.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -43.69 -51.48 7.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.6 mm -47.99 -45.54 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 48.4 mt -65.97 -22.05 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -83.39 -28.58 28.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.55 ' CD1' HG23 ' A' ' 31' ' ' ILE . 4.8 t80 -79.04 -20.19 49.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.412 ' HG ' ' CD1' ' A' ' 31' ' ' ILE . 66.2 mt -87.46 -46.4 9.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -54.19 -31.19 52.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -71.74 -39.96 69.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' THR . 6.3 mm100 -70.48 -64.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' GLN . 5.3 t 33.98 52.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -174.18 -44.32 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.513 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.49 179.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pt -93.74 104.11 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 pp -131.7 154.25 81.75 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.598 0.713 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 166.96 25.81 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.654 2.236 . . . . 0.0 112.386 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 115.38 4.07 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.2 m -123.71 174.6 7.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.96 145.55 15.75 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.458 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 133.84 26.61 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.701 2.268 . . . . 0.0 112.373 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 m -76.44 -49.22 17.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.4 m -92.94 122.84 35.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -162.7 135.67 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.879 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -166.93 177.21 6.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.65 115.06 0.34 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -138.85 145.33 39.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.925 0.393 . . . . 0.0 110.846 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.0 p -147.24 145.27 29.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.84 115.71 2.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.454 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -110.35 107.59 17.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.751 0.31 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.5 173.41 11.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -132.1 102.02 5.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.9 tp -106.76 141.74 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -129.62 160.06 34.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.88 163.97 6.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.557 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -96.84 77.78 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.918 0.39 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.22 125.68 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 t -131.51 162.22 30.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -76.09 96.92 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.16 125.78 3.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.045 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.37 161.03 0.22 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.623 0.725 . . . . 0.0 111.14 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.82 -32.13 18.9 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.91 -29.3 66.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.8 t -87.1 -34.33 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -57.93 -28.99 64.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -77.67 -36.18 51.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 tp -53.25 -24.31 11.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.64 -54.39 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -52.9 -28.56 23.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -80.2 -36.6 34.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -101.18 15.7 27.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 t30 50.33 45.21 26.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.475 HG12 ' CE1' ' A' ' 53' ' ' TYR . 74.1 mt -102.51 143.74 14.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -95.36 93.45 7.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.801 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' LYS . 7.9 mt -34.18 -59.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.3 t -44.44 -45.23 8.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' LYS . 57.3 mm-40 -69.27 -28.68 66.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.427 ' CG2' HG23 ' A' ' 31' ' ' ILE . 59.4 t -71.34 114.45 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.56 100.17 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.01 167.89 6.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 t -129.61 -42.8 1.28 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.921 0.391 . . . . 0.0 110.905 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.05 156.3 11.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.532 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -46.14 154.56 0.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.763 0.316 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 56.15 51.46 11.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.81 18.85 1.16 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.564 ' CZ ' ' CD2' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -57.86 149.58 22.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 110.833 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.2 mt -117.98 107.38 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.564 ' CD2' ' CZ ' ' A' ' 44' ' ' ARG . 6.0 mt -86.41 166.41 15.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -54.22 -38.09 65.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -55.28 -44.92 76.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -54.05 -36.98 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.797 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.8 mm -62.68 -45.33 99.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.7 mt -64.81 -18.96 65.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -87.36 -18.29 30.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.475 ' CE1' HG12 ' A' ' 31' ' ' ILE . 5.3 t80 -85.41 -31.57 22.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.5 mt -78.71 -39.02 37.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.939 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.441 ' O ' ' CG2' ' A' ' 58' ' ' THR . 4.1 pt-20 -57.23 -25.87 59.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -79.54 -25.2 41.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' THR . 14.5 mm100 -71.32 -64.68 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.441 ' CG2' ' O ' ' A' ' 55' ' ' GLU . 13.7 p 33.96 41.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -155.32 -38.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.84 -176.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 111.072 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 62' ' ' LEU . 37.0 pt -91.12 38.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.087 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 61' ' ' ILE . 5.9 mp -37.42 144.23 0.33 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.589 0.709 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.88 164.04 36.12 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.622 2.215 . . . . 0.0 112.363 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 85.58 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.768 2.312 . . . . 0.0 112.352 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.0 t -140.59 172.18 13.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.6 78.87 0.24 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 1.28 4.57 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.738 2.292 . . . . 0.0 112.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.9 m -66.08 118.36 9.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.8 p -145.19 179.92 7.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.434 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 52.6 tp . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.03 150.14 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.48 160.67 1.26 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 111.157 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -43.57 2.59 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.674 2.25 . . . . 0.0 112.369 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.93 -29.32 70.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.5 t -83.86 -37.22 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -54.81 -33.99 62.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 26' ' ' ALA . 7.5 ttt-85 -77.41 -43.45 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.453 ' HG ' HG21 ' A' ' 50' ' ' ILE . 11.4 tp -42.79 -23.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -86.64 -55.07 4.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.098 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -51.14 -23.94 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -84.18 -35.12 23.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -100.79 18.89 18.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 47.39 43.7 15.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.531 HG23 ' CE1' ' A' ' 53' ' ' TYR . 60.7 mt -98.34 135.51 32.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 35' ' ' GLU . 10.1 mptt -82.94 91.76 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.948 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.1 mt -34.02 -58.62 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -45.31 -43.22 10.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 32' ' ' LYS . 77.8 mm-40 -68.78 -33.58 74.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.641 HG22 ' CD2' ' A' ' 53' ' ' TYR . 43.2 t -64.65 101.0 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 37' ' ' VAL . 4.6 p -58.21 101.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.151 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.524 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.786 0.327 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.9 mt -78.03 112.0 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.8 mt -91.32 173.42 7.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -57.07 -36.46 70.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.4 -41.87 90.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -51.03 -43.09 60.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.453 HG21 ' HG ' ' A' ' 25' ' ' LEU . 22.4 mm -58.34 -54.99 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.68 -18.71 55.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -93.35 -17.8 23.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.641 ' CD2' HG22 ' A' ' 36' ' ' VAL . 5.5 t80 -80.79 -35.86 32.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.515 ' HG ' HD11 ' A' ' 31' ' ' ILE . 52.6 mt -71.93 -42.45 66.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.974 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 tp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.806 0.336 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.04 149.32 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.31 160.61 2.4 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.539 0.685 . . . . 0.0 111.204 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.73 3.15 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.76 2.307 . . . . 0.0 112.309 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.06 -32.68 73.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.3 t -80.29 -37.71 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.186 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -56.01 -24.04 36.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -89.33 -20.29 24.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.444 ' HG ' HG21 ' A' ' 50' ' ' ILE . 13.3 tp -64.17 -22.14 66.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.25 -46.71 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ptm -55.89 -23.51 31.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -86.9 -30.07 21.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -106.98 16.2 24.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 m120 49.14 49.73 19.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.583 HD11 ' HG ' ' A' ' 54' ' ' LEU . 71.1 mt -104.06 144.04 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 35' ' ' GLU . 2.1 mptt -90.74 96.82 10.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 33' ' ' LEU . 10.7 mt -36.45 -57.51 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.973 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 t -50.92 -37.09 41.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' LYS . 81.1 mm-40 -73.74 -23.4 59.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.0 t -73.59 121.71 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 67.3 t -71.02 99.3 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.425 ' HE ' HD21 ' A' ' 46' ' ' LEU . 55.8 ttp180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.767 0.318 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.4 mt -70.43 109.59 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.425 HD21 ' HE ' ' A' ' 44' ' ' ARG . 28.1 mt -81.39 176.95 9.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -63.93 -39.44 94.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -57.8 -47.4 82.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -43.07 -45.16 5.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.444 HG21 ' HG ' ' A' ' 25' ' ' LEU . 9.7 mm -59.3 -52.62 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.7 mt -58.86 -15.82 14.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -96.87 -13.67 22.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.501 ' CE1' HG23 ' A' ' 31' ' ' ILE . 3.2 t80 -85.58 -29.08 24.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.583 ' HG ' HD11 ' A' ' 31' ' ' ILE . 19.7 mt -78.75 -44.45 23.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.884 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.668 HD22 ' HB2' ' A' ' 44' ' ' ARG . 3.5 tt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.839 0.352 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.83 144.86 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.065 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.22 160.64 4.67 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.603 0.716 . . . . 0.0 111.13 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.8 -41.13 4.48 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.26 -25.15 67.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.1 t -89.52 -33.89 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.431 ' HA ' HD11 ' A' ' 33' ' ' LEU . 32.2 mtp85 -61.53 -21.68 64.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.446 ' NH2' ' OE2' ' A' ' 28' ' ' GLU . 9.5 ttt85 -88.74 -26.09 21.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.553 ' HG ' HG21 ' A' ' 50' ' ' ILE . 11.5 tp -63.94 -21.18 66.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.06 -50.78 5.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.5 ptp -52.82 -28.67 23.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.446 ' OE2' ' NH2' ' A' ' 24' ' ' ARG . 5.4 mm-40 -78.99 -32.09 45.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.486 ' HB3' HD21 ' A' ' 54' ' ' LEU . 69.7 m-80 -105.09 15.83 26.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 m120 51.51 39.92 25.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.729 HG23 ' CE1' ' A' ' 53' ' ' TYR . 92.5 mt -96.23 143.85 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -94.1 93.19 7.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.942 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 32' ' ' LYS . 9.8 mt -34.05 -59.02 0.44 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.0 t -47.93 -41.75 25.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 32' ' ' LYS . 16.0 mm-40 -68.68 -26.09 65.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.759 HG22 ' CD2' ' A' ' 53' ' ' TYR . 54.5 t -73.33 135.28 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.9 t -77.57 99.26 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.493 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.668 ' HB2' HD22 ' A' ' 17' ' ' LEU . 34.6 ttm-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.823 0.344 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.7 mt -86.26 122.31 38.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.9 mt -93.64 -176.07 3.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -70.51 -39.45 74.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -55.82 -51.25 68.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.413 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 81.6 m-20 -40.29 -45.14 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.553 HG21 ' HG ' ' A' ' 25' ' ' LEU . 6.2 mm -54.94 -51.31 54.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.3 mt -59.87 -20.2 55.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -90.81 -21.52 21.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.759 ' CD2' HG22 ' A' ' 36' ' ' VAL . 12.6 t80 -80.9 -21.77 40.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.509 ' HG ' HD11 ' A' ' 31' ' ' ILE . 19.9 mt -82.33 -36.09 27.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.889 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.821 0.343 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.57 136.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.055 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.27 160.63 0.35 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.538 0.685 . . . . 0.0 111.203 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -40.86 4.84 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.89 -27.37 69.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.102 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.8 t -86.81 -34.85 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.551 ' HA ' HD11 ' A' ' 33' ' ' LEU . 69.3 mtp180 -57.74 -24.23 55.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -85.78 -41.74 14.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.42 HD23 ' CB ' ' A' ' 50' ' ' ILE . 10.2 tp -44.75 -26.03 0.35 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.569 ' HB1' ' O ' ' A' ' 31' ' ' ILE . . . -84.35 -48.16 9.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.04 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.0 ptm -57.6 -29.0 64.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -82.29 -29.29 31.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -108.31 17.43 22.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 46.55 50.67 12.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.651 HG23 ' CE1' ' A' ' 53' ' ' TYR . 62.7 mt -109.49 140.98 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 33' ' ' LEU . 4.5 mptt -90.76 92.74 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.551 HD11 ' HA ' ' A' ' 23' ' ' ARG . 8.6 mt -34.21 -59.41 0.44 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 t -43.08 -43.01 4.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.796 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' LYS . 77.3 mm-40 -68.61 -34.32 75.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.467 HG12 ' HB3' ' A' ' 49' ' ' ASP . 58.4 t -61.36 130.61 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.092 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.3 t -72.39 102.56 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.771 0.319 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.8 mt -78.64 116.13 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 mt -86.53 168.87 13.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -58.59 -43.49 89.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -50.79 -46.89 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.467 ' HB3' HG12 ' A' ' 36' ' ' VAL . 66.4 m-20 -46.4 -39.92 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.42 ' CB ' HD23 ' A' ' 25' ' ' LEU . 27.7 mm -61.32 -46.33 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.9 mt -66.13 -17.69 64.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -93.13 -22.64 18.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.651 ' CE1' HG23 ' A' ' 31' ' ' ILE . 1.5 t80 -79.05 -20.48 48.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.3 mt -84.48 -47.81 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.022 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.875 179.885 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.77 0.319 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.73 156.81 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.77 160.68 13.97 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.536 0.684 . . . . 0.0 111.2 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -39.78 6.1 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.357 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.45 -32.49 74.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.4 t -79.85 -39.16 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -52.46 -27.98 18.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -80.86 -38.85 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.562 HD23 ' HB ' ' A' ' 50' ' ' ILE . 12.2 tp -48.61 -19.06 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 30' ' ' ASN . . . -92.19 -49.72 6.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.058 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.8 ptp -55.66 -30.59 61.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -79.74 -33.53 40.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -104.18 15.27 28.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 26' ' ' ALA . 36.7 m-20 47.19 48.46 15.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.681 HD11 ' HG ' ' A' ' 54' ' ' LEU . 81.2 mt -100.77 142.78 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -89.75 92.76 9.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.2 mt -34.2 -59.59 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -45.12 -41.56 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 32' ' ' LYS . 8.1 mm-40 -69.05 -37.05 78.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.3 t -55.81 121.8 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.1 t -66.84 98.3 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.753 0.311 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 59.5 mt -82.97 124.38 39.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.8 mt -95.57 151.39 19.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.7 -43.18 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.866 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.6 mp0 -50.96 -60.21 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.5 m-20 -34.67 -47.34 0.33 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.562 ' HB ' HD23 ' A' ' 25' ' ' LEU . 9.2 mm -57.9 -63.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 mt -54.99 -24.74 25.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -86.03 -22.14 27.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 53' ' ' TYR . 3.9 t80 -79.21 -26.34 42.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.681 ' HG ' HD11 ' A' ' 31' ' ' ILE . 39.2 mt -80.11 -47.67 14.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.819 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.587 HD22 ' HB2' ' A' ' 44' ' ' ARG . 2.2 tt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.784 0.326 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -173.84 154.82 2.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.94 160.54 10.8 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.585 0.707 . . . . 0.0 111.144 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.63 -42.48 3.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.725 2.283 . . . . 0.0 112.369 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.17 -32.72 72.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.9 t -79.18 -39.83 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.447 ' HG2' HD11 ' A' ' 33' ' ' LEU . 30.9 mtp180 -53.15 -40.03 63.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' ALA . 11.7 ttt-85 -66.4 -48.08 71.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.506 HD23 ' HB ' ' A' ' 50' ' ' ILE . 10.5 tp -41.96 -23.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -84.77 -52.16 6.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.047 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.0 ptp -54.88 -26.5 36.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -82.41 -37.94 24.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.572 ' HB3' HD21 ' A' ' 54' ' ' LEU . 56.3 m-80 -98.39 15.52 24.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.3 m120 49.32 44.88 23.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.725 HG23 ' CE1' ' A' ' 53' ' ' TYR . 84.3 mt -98.85 138.82 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.058 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 35' ' ' GLU . 9.6 mptt -86.92 93.63 9.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 33' ' ' LEU . 9.9 mt -34.22 -58.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.2 t -47.05 -41.47 16.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' LYS . 16.4 mm-40 -68.5 -29.66 68.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.604 HG22 ' CD2' ' A' ' 53' ' ' TYR . 24.6 t -72.19 96.57 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -54.77 96.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.587 ' HB2' HD22 ' A' ' 17' ' ' LEU . 42.9 ttp180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.774 0.321 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.8 mt -89.69 114.91 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.1 mt -91.05 170.21 10.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.945 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -57.96 -39.15 77.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -59.69 -39.98 86.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.426 ' CG ' HG12 ' A' ' 36' ' ' VAL . 15.8 t0 -53.45 -43.63 68.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.506 ' HB ' HD23 ' A' ' 25' ' ' LEU . 14.1 mm -59.82 -47.28 92.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.8 mt -66.84 -18.47 65.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -94.25 -18.62 21.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.725 ' CE1' HG23 ' A' ' 31' ' ' ILE . 3.4 t80 -80.8 -29.03 36.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 29' ' ' ASN . 16.6 mt -78.77 -46.5 18.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.3 tp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.96 164.97 3.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.49 160.71 70.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.522 0.677 . . . . 0.0 111.127 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -40.03 5.81 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.71 -31.54 72.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.4 t -81.03 -37.81 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -54.73 -27.34 40.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 26' ' ' ALA . 9.3 ttt180 -80.21 -44.99 18.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.615 ' HG ' HG21 ' A' ' 50' ' ' ILE . 11.1 tp -42.15 -25.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -86.5 -51.76 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -54.25 -26.46 29.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -83.58 -31.21 26.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.461 ' HB3' HD21 ' A' ' 54' ' ' LEU . 57.0 m-80 -105.93 18.02 22.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 48.71 48.93 19.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.496 ' CG2' ' CG2' ' A' ' 36' ' ' VAL . 61.6 mt -101.12 142.07 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 35' ' ' GLU . 6.4 mptt -90.8 92.69 8.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 33' ' ' LEU . 8.8 mt -35.29 -45.15 0.3 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.0 t -57.23 -44.16 83.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 32' ' ' LYS . 5.6 mm-40 -69.19 -34.59 75.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.752 HG12 ' OD2' ' A' ' 49' ' ' ASP . 13.9 t -63.8 102.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 81.1 t -61.2 97.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.6 ttm-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.765 0.317 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.486 HG23 ' OD2' ' A' ' 49' ' ' ASP . 19.4 mt -66.08 117.9 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.2 mt -92.24 167.0 12.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.1 tttt -54.46 -42.6 70.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -52.85 -44.69 66.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.752 ' OD2' HG12 ' A' ' 36' ' ' VAL . 12.2 t0 -48.88 -44.48 40.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.615 HG21 ' HG ' ' A' ' 25' ' ' LEU . 17.6 mm -55.92 -50.99 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.51 -21.14 65.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.979 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -87.62 -19.14 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.596 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 2.3 t80 -86.76 -19.57 28.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 29' ' ' ASN . 12.1 mt -90.2 -41.23 11.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.8 0.334 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.04 149.92 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.29 160.87 28.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.703 . . . . 0.0 111.114 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -36.18 11.08 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.329 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.31 -37.2 84.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.086 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.647 HG13 HG13 ' A' ' 50' ' ' ILE . 54.0 t -76.34 -40.02 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.168 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.3 mtp85 -48.92 -32.38 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -79.28 -40.76 29.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.525 HD23 ' HB ' ' A' ' 50' ' ' ILE . 12.1 tp -49.14 -19.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.42 -51.11 5.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.4 ptp -54.91 -32.6 61.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -78.07 -34.81 50.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.933 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.508 ' HB3' HD21 ' A' ' 54' ' ' LEU . 66.1 m-80 -102.21 19.06 19.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.7 m120 44.16 49.62 7.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.549 HD11 ' HG ' ' A' ' 54' ' ' LEU . 81.3 mt -104.08 139.53 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.483 ' HB2' ' CG ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -90.11 95.46 10.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 33' ' ' LEU . 8.7 mt -35.44 -54.34 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 t -49.76 -41.32 43.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.483 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 7.7 mm-40 -69.65 -29.3 66.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.613 HG22 ' CD2' ' A' ' 53' ' ' TYR . 44.7 t -70.88 126.97 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.4 t -72.19 103.51 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.791 0.329 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.3 mt -92.28 143.28 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.5 mt -110.6 -177.83 3.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -68.56 -41.34 79.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -54.55 -47.6 73.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -47.23 -49.31 23.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.647 HG13 HG13 ' A' ' 22' ' ' VAL . 7.1 mm -54.26 -45.14 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.1 mt -66.79 -18.86 65.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -94.64 -19.13 20.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.613 ' CD2' HG22 ' A' ' 36' ' ' VAL . 1.2 t80 -80.95 -26.4 36.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.549 ' HG ' HD11 ' A' ' 31' ' ' ILE . 36.6 mt -79.16 -47.87 15.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.827 0.346 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.48 133.68 2.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.991 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.81 160.77 0.23 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.527 0.68 . . . . 0.0 111.171 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -39.36 6.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.646 2.231 . . . . 0.0 112.303 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.61 -27.34 68.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.1 t -85.54 -34.98 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.571 ' HA ' HD11 ' A' ' 33' ' ' LEU . 20.0 mtp85 -57.27 -23.3 47.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -86.75 -36.77 18.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.529 ' HG ' HG21 ' A' ' 50' ' ' ILE . 12.2 tp -50.83 -22.91 2.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.523 ' HB1' ' O ' ' A' ' 31' ' ' ILE . . . -87.17 -53.43 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -54.7 -22.11 12.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -90.94 -21.14 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.5 ' HB3' HD21 ' A' ' 54' ' ' LEU . 50.3 m-80 -114.73 14.75 17.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 51.47 51.52 16.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.766 HG23 ' CE1' ' A' ' 53' ' ' TYR . 25.9 mt -115.32 141.89 30.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.438 ' HB2' ' CG ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -94.38 95.63 9.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.83 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' A' ' 23' ' ' ARG . 9.2 mt -37.49 -59.68 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.1 t -43.89 -37.68 2.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 5.1 mm-40 -71.15 -32.12 68.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.659 HG22 ' CD2' ' A' ' 53' ' ' TYR . 21.4 t -70.32 119.2 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.6 t -69.33 100.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.563 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.536 ' O ' HD12 ' A' ' 46' ' ' LEU . 24.0 ttm180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.742 0.306 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.2 mt -67.04 112.04 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 44' ' ' ARG . 6.1 mp -80.05 152.24 29.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -45.54 -40.51 8.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -55.93 -41.76 75.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -49.46 -39.89 35.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.529 HG21 ' HG ' ' A' ' 25' ' ' LEU . 16.0 mm -60.64 -47.7 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.3 mt -66.92 -21.4 65.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -88.85 -24.62 22.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.766 ' CE1' HG23 ' A' ' 31' ' ' ILE . 1.7 t80 -80.26 -21.61 42.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.668 ' CD2' HD11 ' A' ' 31' ' ' ILE . 49.2 mt -78.96 -43.7 24.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 tp . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.785 0.326 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.405 ' HB2' ' HB ' ' A' ' 45' ' ' ILE . . . -174.28 157.24 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.68 160.77 24.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 111.158 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -37.69 8.65 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -32.75 74.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.1 t -79.72 -39.46 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 7.1 mtp-105 -49.71 -26.63 3.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -90.14 -24.49 21.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.575 ' HG ' HG21 ' A' ' 50' ' ' ILE . 11.4 tp -63.25 -21.0 65.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.05 -42.03 9.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -61.64 -22.51 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -88.29 -30.1 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.461 ' HB3' HD21 ' A' ' 54' ' ' LEU . 64.8 m-80 -102.89 10.66 38.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.1 t30 51.88 45.56 28.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.636 HG23 ' CE1' ' A' ' 53' ' ' TYR . 93.4 mt -102.34 138.03 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.472 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -85.53 100.35 11.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.808 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.658 HD22 HD13 ' A' ' 45' ' ' ILE . 11.1 mt -43.38 -50.26 6.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -52.87 -32.04 42.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.458 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 14.1 mm-40 -82.86 -18.45 40.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.898 HG12 ' OD2' ' A' ' 49' ' ' ASP . 17.8 t -86.18 107.39 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.158 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.4 t -66.85 102.31 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.51 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.803 0.335 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.658 HD13 HD22 ' A' ' 33' ' ' LEU . 17.3 mt -80.64 109.31 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 mt -80.03 -176.02 5.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.5 tttt -70.92 -43.49 68.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -53.44 -46.83 70.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.898 ' OD2' HG12 ' A' ' 36' ' ' VAL . 13.8 t0 -39.55 -52.75 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.575 HG21 ' HG ' ' A' ' 25' ' ' LEU . 15.9 mm -52.59 -57.86 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.5 mt -54.03 -18.68 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -93.59 -19.72 20.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.844 ' CD2' HG22 ' A' ' 36' ' ' VAL . 8.4 t80 -82.14 -27.31 32.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 29' ' ' ASN . 26.9 mt -75.84 -35.17 60.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.964 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.904 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.407 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.697 0.284 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.0 155.21 1.96 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.078 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.4 160.61 23.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.546 0.688 . . . . 0.0 111.119 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -40.56 5.19 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.733 2.289 . . . . 0.0 112.343 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.44 -37.24 82.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.3 t -77.43 -39.78 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -52.48 -33.59 45.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 26' ' ' ALA . 14.3 ttm180 -73.92 -48.42 30.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 24' ' ' ARG . 15.1 tp -36.22 -30.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -84.85 -45.7 12.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.025 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' ARG . 2.4 ptm -56.76 -21.61 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.811 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -92.88 -23.34 18.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.477 ' HB3' HD21 ' A' ' 54' ' ' LEU . 35.9 m-80 -109.73 14.26 23.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 m120 48.54 53.27 12.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.599 HD11 HD21 ' A' ' 54' ' ' LEU . 69.1 mt -109.09 142.65 21.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.478 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -89.34 92.84 9.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.8 mt -34.15 -58.07 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.6 t -44.93 -44.03 9.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.817 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' LYS . 33.5 mm-40 -68.9 -29.95 68.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -69.66 97.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 37' ' ' VAL . 7.1 p -54.8 104.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.54 179.928 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.817 0.341 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.1 mt -73.53 122.38 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 47' ' ' LYS . 21.3 mt -100.33 150.19 22.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 46' ' ' LEU . 28.7 tttm -34.83 -46.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 49' ' ' ASP . 1.8 mp0 -50.2 -60.98 2.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 48' ' ' GLU . 23.0 m-20 -34.41 -40.73 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.3 mm -59.31 -50.74 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' GLU . 36.0 mt -60.8 -18.27 54.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.93 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -89.14 -18.71 26.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.494 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 7.7 t80 -87.67 -21.43 25.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.599 HD21 HD11 ' A' ' 31' ' ' ILE . 9.7 mt -87.92 -40.24 14.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.917 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.561 ' HB2' ' HB ' ' A' ' 45' ' ' ILE . . . -173.53 138.99 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -42.13 160.64 0.17 Allowed Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.562 0.696 . . . . 0.0 111.108 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 -39.24 6.93 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.656 2.237 . . . . 0.0 112.377 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.52 -30.25 70.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.056 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.5 t -79.87 -36.86 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -56.25 -26.5 51.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -84.73 -39.67 18.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.494 HD23 ' CB ' ' A' ' 50' ' ' ILE . 13.0 tp -46.87 -23.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.54 -55.38 4.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ptm -49.35 -33.38 13.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -76.76 -27.71 55.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.645 ' HB3' HD21 ' A' ' 54' ' ' LEU . 59.6 m-80 -110.32 19.33 18.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.23 42.99 7.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.779 HG23 ' CE1' ' A' ' 53' ' ' TYR . 77.8 mt -97.1 142.15 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HB2' ' CG ' ' A' ' 35' ' ' GLU . 7.0 mptt -90.64 98.13 11.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 33' ' ' LEU . 11.3 mt -40.76 -56.37 2.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.1 t -48.23 -33.43 8.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.46 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 70.4 mm-40 -75.86 -30.18 58.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.946 HG12 ' OD2' ' A' ' 49' ' ' ASP . 13.6 t -73.57 98.01 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.108 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 37' ' ' VAL . 6.2 p -62.03 100.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.751 0.31 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.561 ' HB ' ' HB2' ' A' ' 18' ' ' ALA . 46.9 mt -82.71 126.8 40.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.76 HD22 ' H ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -99.45 144.89 28.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 46' ' ' LEU . 85.1 tttt -35.65 -39.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -53.32 -53.84 45.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.946 ' OD2' HG12 ' A' ' 36' ' ' VAL . 11.9 t0 -42.01 -46.83 4.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.494 ' CB ' HD23 ' A' ' 25' ' ' LEU . 17.5 mm -53.18 -47.1 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.9 mt -65.02 -18.38 65.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -89.89 -17.68 27.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.779 ' CE1' HG23 ' A' ' 31' ' ' ILE . 2.9 t80 -86.8 -24.41 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.645 HD21 ' HB3' ' A' ' 29' ' ' ASN . 9.6 mt -84.67 -43.53 14.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.831 0.348 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.06 159.57 2.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.064 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.47 160.7 23.2 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.601 0.715 . . . . 0.0 111.144 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.64 -38.46 8.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.631 2.221 . . . . 0.0 112.385 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.62 -32.4 73.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -80.12 -38.94 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.159 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -53.44 -25.97 18.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.799 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' ALA . 3.8 ttt180 -80.29 -48.24 13.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.651 HD23 ' HB ' ' A' ' 50' ' ' ILE . 12.8 tp -42.34 -23.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -86.01 -52.89 5.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.028 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.8 ptp -54.6 -28.35 45.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.86 -34.91 57.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.528 ' HB3' HD21 ' A' ' 54' ' ' LEU . 62.1 m-80 -100.65 13.48 34.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 50.47 42.24 26.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.638 HD11 ' HG ' ' A' ' 54' ' ' LEU . 97.4 mt -97.92 135.12 33.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 35' ' ' GLU . 9.0 mptt -78.93 92.53 4.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.4 mt -34.43 -57.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 t -46.25 -41.85 13.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.801 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' LYS . 76.1 mm-40 -68.42 -27.29 66.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.666 HG12 ' OD2' ' A' ' 49' ' ' ASP . 21.4 t -75.5 103.31 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 37' ' ' VAL . 7.1 p -62.07 101.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.506 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.759 0.314 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.6 mt -68.11 115.32 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.7 mt -87.6 170.1 11.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.489 ' HG3' HD22 ' A' ' 25' ' ' LEU . 23.2 tttm -62.99 -37.73 88.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.94 -33.72 72.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.666 ' OD2' HG12 ' A' ' 36' ' ' VAL . 15.9 t0 -58.75 -40.22 83.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.651 ' HB ' HD23 ' A' ' 25' ' ' LEU . 4.1 mm -61.5 -48.39 89.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.7 mt -66.67 -17.38 64.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.98 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -91.17 -18.52 24.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.549 ' CD2' HG22 ' A' ' 36' ' ' VAL . 3.2 t80 -84.25 -26.28 28.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.638 ' HG ' HD11 ' A' ' 31' ' ' ILE . 37.4 mt -82.49 -39.11 22.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.926 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 tp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.786 0.327 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.07 161.56 2.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.55 160.83 70.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.585 0.707 . . . . 0.0 111.131 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -39.7 6.1 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.719 2.28 . . . . 0.0 112.364 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.0 -36.23 80.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.2 t -79.05 -37.52 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 9.8 mtp-105 -54.04 -30.06 46.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 26' ' ' ALA . 32.0 ttt180 -77.12 -46.99 21.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.503 HD23 ' HB ' ' A' ' 50' ' ' ILE . 14.4 tp -41.23 -24.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -88.15 -41.92 12.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' ARG . 2.5 ptt? -62.09 -21.76 65.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -87.32 -29.93 21.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -106.44 16.59 24.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 48.19 44.7 19.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.436 HD11 ' HG ' ' A' ' 54' ' ' LEU . 70.5 mt -100.47 134.38 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -82.64 93.76 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.829 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.5 mt -34.11 -59.61 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -42.95 -42.68 3.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' LYS . 73.6 mm-40 -70.16 -31.84 69.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 33' ' ' LEU . 54.3 t -63.67 107.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.069 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.0 t -54.66 102.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.165 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.52 179.952 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.823 0.344 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.9 mt -78.61 118.19 25.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.6 mt -94.89 171.17 8.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 tttp -56.28 -41.92 76.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.22 -48.78 73.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.43 ' HB3' HG12 ' A' ' 36' ' ' VAL . 75.0 m-20 -40.57 -52.05 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.503 ' HB ' HD23 ' A' ' 25' ' ' LEU . 10.2 mm -52.22 -57.92 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.196 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.0 mt -56.65 -18.08 10.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.045 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -90.29 -22.97 21.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.961 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.543 ' C ' ' CD1' ' A' ' 53' ' ' TYR . 1.4 t80 -81.54 -25.79 35.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.436 ' HG ' HD11 ' A' ' 31' ' ' ILE . 33.6 mt -79.03 -45.08 20.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.884 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.888 0.375 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.84 123.1 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.071 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -39.71 160.87 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.596 0.713 . . . . 0.0 111.117 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 -36.03 11.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.72 2.28 . . . . 0.0 112.322 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -28.87 65.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.196 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.2 t -84.29 -36.36 11.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -56.67 -19.22 15.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -91.16 -40.54 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.3 tp -50.93 -19.79 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.03 -53.71 4.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.1 ptp -51.85 -29.1 18.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -82.14 -23.69 35.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.414 ' HB3' HD21 ' A' ' 54' ' ' LEU . 64.1 m-80 -113.9 16.75 18.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 45.48 51.51 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.595 HG23 ' CE1' ' A' ' 53' ' ' TYR . 68.7 mt -105.04 138.64 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -88.94 98.01 11.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.948 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.863 HD22 HD13 ' A' ' 45' ' ' ILE . 9.3 mt -42.21 -55.86 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.8 t -44.33 -33.07 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -77.41 -33.19 55.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.507 HG22 ' CD2' ' A' ' 53' ' ' TYR . 18.6 t -70.71 127.51 32.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.2 t -74.96 97.89 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.408 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.516 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.732 0.301 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.863 HD13 HD22 ' A' ' 33' ' ' LEU . 9.7 mt -76.15 136.04 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.2 mt -101.69 167.9 9.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -59.34 -37.49 77.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -57.78 -44.94 86.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.483 ' HB3' HG12 ' A' ' 36' ' ' VAL . 87.2 m-20 -49.56 -46.69 49.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.8 mm -53.17 -52.46 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.3 mt -59.04 -16.73 20.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -93.18 -13.67 28.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.595 ' CE1' HG23 ' A' ' 31' ' ' ILE . 7.2 t80 -89.16 -28.32 20.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.543 ' HG ' HD11 ' A' ' 31' ' ' ILE . 11.1 mt -80.52 -35.43 34.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.87 0.367 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.15 143.04 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.47 160.96 38.29 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.599 0.714 . . . . 0.0 111.14 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -29.25 24.06 Favored 'Trans proline' 0 N--CA 1.466 -0.125 0 C-N-CA 122.739 2.293 . . . . 0.0 112.335 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.93 -35.96 64.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.046 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.602 HG13 HG13 ' A' ' 50' ' ' ILE . 92.8 t -80.65 -37.77 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -50.28 -27.94 6.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -85.88 -28.39 24.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.574 ' HG ' HG21 ' A' ' 50' ' ' ILE . 12.1 tp -58.64 -21.87 55.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 31' ' ' ILE . . . -89.52 -53.06 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.1 ptm -50.27 -26.56 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -86.46 -31.04 21.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.629 ' HB3' HD21 ' A' ' 54' ' ' LEU . 63.6 m-80 -106.12 19.59 20.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 42.75 52.72 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.534 HD11 ' HG ' ' A' ' 54' ' ' LEU . 98.6 mt -108.19 135.47 46.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -85.51 95.42 9.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.603 HD22 HD13 ' A' ' 45' ' ' ILE . 8.0 mt -37.54 -55.48 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -46.88 -39.3 11.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LYS . 7.3 mm-40 -70.24 -37.12 74.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.413 ' CG1' ' HB3' ' A' ' 49' ' ' ASP . 20.4 t -63.89 124.1 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.1 t -74.12 95.59 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.502 179.953 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.722 0.296 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.603 HD13 HD22 ' A' ' 33' ' ' LEU . 13.2 mt -97.65 117.19 41.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.9 mt -86.78 161.88 18.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -53.74 -38.6 64.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.22 -45.17 75.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.413 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 69.0 m-20 -51.41 -47.78 62.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.602 HG13 HG13 ' A' ' 22' ' ' VAL . 19.9 mm -52.81 -53.61 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.4 mt -61.73 -17.61 56.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -88.47 -21.15 24.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -85.61 -25.57 26.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.629 HD21 ' HB3' ' A' ' 29' ' ' ASN . 45.6 mt -82.96 -35.85 25.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.918 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.04 152.8 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.78 160.69 5.42 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.592 0.71 . . . . 0.0 111.136 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -40.9 4.68 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.706 2.27 . . . . 0.0 112.385 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.62 -31.63 71.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.0 t -83.79 -38.75 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -55.5 -20.5 13.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -88.57 -37.68 15.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.666 ' HG ' HG21 ' A' ' 50' ' ' ILE . 11.9 tp -49.37 -22.04 1.03 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.62 -44.18 9.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.6 ptm -61.68 -21.76 64.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -90.89 -23.96 20.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.521 ' HB3' HD21 ' A' ' 54' ' ' LEU . 59.2 m-80 -109.67 12.82 24.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 30' ' ' ASN . 2.7 t30 52.19 43.86 30.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.837 HG23 ' CE1' ' A' ' 53' ' ' TYR . 58.5 mt -100.35 139.67 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.4 mppt? -85.9 95.58 9.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 33' ' ' LEU . 10.0 mt -34.97 -56.31 0.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.4 t -49.59 -40.72 39.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' LYS . 5.9 mm-40 -69.31 -25.34 64.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.435 HG22 ' CD2' ' A' ' 53' ' ' TYR . 21.2 t -74.51 115.45 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.2 t -69.14 96.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.496 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.4 mt -69.97 130.35 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.208 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.8 mt -105.14 169.94 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -57.89 -40.72 80.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -52.63 -53.43 47.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -42.47 -48.26 5.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.666 HG21 ' HG ' ' A' ' 25' ' ' LEU . 8.1 mm -52.59 -56.02 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.0 mt -55.22 -19.67 8.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -91.52 -18.83 23.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.837 ' CE1' HG23 ' A' ' 31' ' ' ILE . 14.6 t80 -81.86 -33.59 30.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.522 ' HG ' HD11 ' A' ' 31' ' ' ILE . 10.4 mt -70.48 -37.1 74.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.425 HD23 ' HB2' ' A' ' 44' ' ' ARG . 11.9 tp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.817 0.341 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -158.05 140.48 14.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.18 160.77 0.83 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.565 0.698 . . . . 0.0 111.171 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -35.48 12.39 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.254 . . . . 0.0 112.312 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.44 -30.6 68.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.059 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.0 t -82.49 -38.45 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -53.91 -31.18 49.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -75.25 -43.16 53.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.47 HD22 ' HG3' ' A' ' 47' ' ' LYS . 12.4 tp -47.79 -19.41 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.55 -45.94 9.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.439 ' HG3' ' N ' ' A' ' 28' ' ' GLU . 3.7 ptp -56.41 -27.33 56.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 27' ' ' MET . 13.9 mm-40 -82.18 -34.6 28.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 30' ' ' ASN . 63.9 m-80 -101.61 12.94 36.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 6.3 p-10 45.41 41.45 6.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.781 HG23 ' CE1' ' A' ' 53' ' ' TYR . 55.8 mt -95.51 141.63 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.3 mppt? -86.13 102.69 14.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.913 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 33' ' ' LEU . 8.5 mt -45.09 -55.27 5.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.4 t -48.77 -35.75 15.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -77.26 -23.04 51.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 32' ' ' LYS . 60.6 t -73.55 121.97 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.1 t -70.18 101.86 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.453 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.425 ' HB2' HD23 ' A' ' 17' ' ' LEU . 37.0 ttm180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.768 0.318 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.5 mt -83.48 130.42 35.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.4 mt -99.27 175.25 5.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.961 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.47 ' HG3' HD22 ' A' ' 25' ' ' LEU . 67.9 tttt -66.62 -37.8 85.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.04 -28.11 67.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -62.85 -48.63 78.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.415 ' HB ' HD23 ' A' ' 25' ' ' LEU . 7.7 mm -52.54 -50.26 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.5 mt -61.79 -16.56 50.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -91.05 -28.93 17.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.781 ' CE1' HG23 ' A' ' 31' ' ' ILE . 3.7 t80 -74.18 -24.66 59.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.479 ' HG ' HD11 ' A' ' 31' ' ' ILE . 46.5 mt -76.95 -43.53 34.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.896 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.5 tp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.8 0.334 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.02 150.91 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.2 p -55.32 156.28 8.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.559 0.695 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -30.62 21.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.746 2.297 . . . . 0.0 112.313 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.65 -36.74 76.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.85 -40.22 38.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.517 ' HG2' HD11 ' A' ' 33' ' ' LEU . 63.2 mtp180 -52.83 -35.39 57.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 26' ' ' ALA . 24.1 ttt180 -67.77 -50.19 58.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 25' ' ' LEU . 11.8 tp -39.2 -25.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -81.64 -50.75 8.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.093 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 28' ' ' GLU . 4.5 ptp -51.74 -28.14 14.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 27' ' ' MET . 8.5 mt-10 -80.03 -36.73 35.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.848 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.74 ' HB3' HD21 ' A' ' 54' ' ' LEU . 63.2 m-80 -100.28 18.61 18.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m120 44.33 46.54 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.758 HD11 ' HG ' ' A' ' 54' ' ' LEU . 84.5 mt -99.93 137.19 28.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.179 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -86.24 94.08 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.517 HD11 ' HG2' ' A' ' 23' ' ' ARG . 11.4 mt -34.63 -59.58 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.7 t -45.65 -40.72 9.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 32' ' ' LYS . 80.6 mm-40 -69.67 -36.1 75.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.426 HG22 ' CD2' ' A' ' 53' ' ' TYR . 57.9 t -60.42 129.82 23.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.1 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.8 t -78.18 103.29 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HE ' HD21 ' A' ' 46' ' ' LEU . 39.9 ttp180 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.771 0.32 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.4 mt -79.27 120.51 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.472 HD21 ' HE ' ' A' ' 44' ' ' ARG . 28.5 mt -96.95 173.52 7.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -59.34 -42.93 92.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -52.48 -48.05 66.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -43.69 -51.48 7.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.6 mm -47.99 -45.54 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 48.4 mt -65.97 -22.05 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -83.39 -28.58 28.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.548 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 4.8 t80 -79.04 -20.19 49.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.758 ' HG ' HD11 ' A' ' 31' ' ' ILE . 66.2 mt -87.46 -46.4 9.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.914 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.16 125.78 3.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.045 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.37 161.03 0.22 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.623 0.725 . . . . 0.0 111.14 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.82 -32.13 18.9 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.91 -29.3 66.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.8 t -87.1 -34.33 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.432 ' HG2' HD11 ' A' ' 33' ' ' LEU . 30.5 mtp180 -57.93 -28.99 64.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -77.67 -36.18 51.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.451 HD23 ' CB ' ' A' ' 50' ' ' ILE . 10.3 tp -53.25 -24.31 11.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.485 ' HB1' ' O ' ' A' ' 31' ' ' ILE . . . -83.64 -54.39 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -52.9 -28.56 23.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -80.2 -36.6 34.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.666 ' HB3' HD21 ' A' ' 54' ' ' LEU . 64.1 m-80 -101.18 15.7 27.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 t30 50.33 45.21 26.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.605 HD11 ' HG ' ' A' ' 54' ' ' LEU . 74.1 mt -102.51 143.74 14.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -95.36 93.45 7.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.801 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 33' ' ' LEU . 7.9 mt -34.18 -59.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.3 t -44.44 -45.23 8.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' LYS . 57.3 mm-40 -69.27 -28.68 66.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.426 HG22 ' CD2' ' A' ' 53' ' ' TYR . 59.4 t -71.34 114.45 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.56 100.17 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.964 ' CZ ' HD23 ' A' ' 46' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.816 0.341 . . . . 0.0 110.833 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.2 mt -117.98 107.38 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.964 HD23 ' CZ ' ' A' ' 44' ' ' ARG . 6.0 mt -86.41 166.41 15.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -54.22 -38.09 65.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -55.28 -44.92 76.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -54.05 -36.98 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.797 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.451 ' CB ' HD23 ' A' ' 25' ' ' LEU . 24.8 mm -62.68 -45.33 99.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.7 mt -64.81 -18.96 65.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -87.36 -18.29 30.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.477 ' CE1' HG12 ' A' ' 31' ' ' ILE . 5.3 t80 -85.41 -31.57 22.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.666 HD21 ' HB3' ' A' ' 29' ' ' ASN . 31.5 mt -78.71 -39.02 37.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t 45.76 41.84 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.832 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.1 m -97.12 139.52 32.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.82 164.75 23.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -89.56 133.83 34.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.81 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m -37.42 -51.01 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.3 178.0 15.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -142.96 145.24 32.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.736 0.303 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -140.56 171.42 14.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -131.06 145.62 52.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.0 tt -119.62 144.81 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.061 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -41.63 161.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.58 58.4 0.24 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.472 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -64.77 -57.96 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -73.38 125.72 28.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 m -87.32 143.46 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.172 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.81 HD23 ' O ' ' A' ' 42' ' ' ASP . 52.6 tp -102.82 103.17 13.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.03 150.14 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.48 160.67 1.26 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 111.157 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -43.57 2.59 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.674 2.25 . . . . 0.0 112.369 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.93 -29.32 70.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.5 t -83.86 -37.22 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -54.81 -33.99 62.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 26' ' ' ALA . 7.5 ttt-85 -77.41 -43.45 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.453 ' HG ' HG21 ' A' ' 50' ' ' ILE . 11.4 tp -42.79 -23.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -86.64 -55.07 4.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.098 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -51.14 -23.94 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -84.18 -35.12 23.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -100.79 18.89 18.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 47.39 43.7 15.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.531 HG23 ' CE1' ' A' ' 53' ' ' TYR . 60.7 mt -98.34 135.51 32.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 35' ' ' GLU . 10.1 mptt -82.94 91.76 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.948 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.1 mt -34.02 -58.62 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -45.31 -43.22 10.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 32' ' ' LYS . 77.8 mm-40 -68.78 -33.58 74.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.641 HG22 ' CD2' ' A' ' 53' ' ' TYR . 43.2 t -64.65 101.0 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 37' ' ' VAL . 4.6 p -58.21 101.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.151 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.01 152.89 27.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.524 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 40' ' ' GLY . 2.4 t -106.7 -47.97 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.855 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -36.25 149.29 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -37.84 -65.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.81 ' O ' HD23 ' A' ' 17' ' ' LEU . 72.5 m-20 -77.66 54.1 1.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 45.75 20.45 0.42 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.448 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -66.41 119.6 11.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 110.823 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.9 mt -78.03 112.0 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.8 mt -91.32 173.42 7.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -57.07 -36.46 70.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.4 -41.87 90.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -51.03 -43.09 60.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.453 HG21 ' HG ' ' A' ' 25' ' ' LEU . 22.4 mm -58.34 -54.99 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.68 -18.71 55.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -93.35 -17.8 23.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.641 ' CD2' HG22 ' A' ' 36' ' ' VAL . 5.5 t80 -80.79 -35.86 32.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.804 ' O ' HG23 ' A' ' 58' ' ' THR . 52.6 mt -71.93 -42.45 66.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.974 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -59.75 -24.64 64.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -94.52 -33.93 12.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -71.47 -32.47 68.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.804 HG23 ' O ' ' A' ' 54' ' ' LEU . 71.7 p -68.19 -38.75 82.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.04 48.87 1.19 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.527 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.79 173.4 10.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.332 . . . . 0.0 111.111 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.2 pt -97.8 110.75 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -139.12 147.77 54.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.664 0.745 . . . . 0.0 110.875 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 169.57 18.59 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' SER . 53.1 Cg_endo -69.8 -43.65 2.5 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.366 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' PRO . 46.4 p 37.02 39.59 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 133.39 -178.14 18.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.432 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -30.23 22.4 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.626 2.217 . . . . 0.0 112.374 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 t -50.05 139.97 13.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.0 m -148.6 125.57 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -81.97 119.58 24.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.369 . . . . 0.0 110.867 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.7 p -170.0 150.82 3.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.812 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.04 167.0 27.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.45 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 m -90.1 -58.66 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.831 0.348 . . . . 0.0 110.855 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -77.23 160.59 28.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.68 -143.23 3.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -148.08 128.84 14.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.731 0.301 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.9 pm0 -167.64 149.35 5.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -152.84 147.42 26.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 tt -131.04 147.3 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' N ' ' HE3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -82.27 139.2 34.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -164.3 170.26 39.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -112.94 -53.48 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.923 0.392 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -93.19 157.95 16.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.487 HG21 ' HB3' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -119.2 147.96 43.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.161 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 tp -111.23 110.62 21.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.04 149.32 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.31 160.61 2.4 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.539 0.685 . . . . 0.0 111.204 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.73 3.15 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.76 2.307 . . . . 0.0 112.309 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.06 -32.68 73.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.3 t -80.29 -37.71 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.186 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -56.01 -24.04 36.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -89.33 -20.29 24.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.444 ' HG ' HG21 ' A' ' 50' ' ' ILE . 13.3 tp -64.17 -22.14 66.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.25 -46.71 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ptm -55.89 -23.51 31.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -86.9 -30.07 21.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -106.98 16.2 24.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 m120 49.14 49.73 19.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.583 HD11 ' HG ' ' A' ' 54' ' ' LEU . 71.1 mt -104.06 144.04 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 35' ' ' GLU . 2.1 mptt -90.74 96.82 10.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.487 ' HB3' HG21 ' A' ' 16' ' ' THR . 10.7 mt -36.45 -57.51 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.973 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 t -50.92 -37.09 41.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' LYS . 81.1 mm-40 -73.74 -23.4 59.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.0 t -73.59 121.71 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 67.3 t -71.02 99.3 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.08 168.75 6.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 t -125.23 -42.3 2.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.919 0.39 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -39.93 158.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -52.46 -51.94 56.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.788 0.328 . . . . 0.0 110.818 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -86.73 31.71 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.74 -7.44 26.83 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.425 ' HE ' HD21 ' A' ' 46' ' ' LEU . 55.8 ttp180 -40.04 110.35 0.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.767 0.318 . . . . 0.0 110.839 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.4 mt -70.43 109.59 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.425 HD21 ' HE ' ' A' ' 44' ' ' ARG . 28.1 mt -81.39 176.95 9.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -63.93 -39.44 94.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -57.8 -47.4 82.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -43.07 -45.16 5.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.444 HG21 ' HG ' ' A' ' 25' ' ' LEU . 9.7 mm -59.3 -52.62 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.7 mt -58.86 -15.82 14.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -96.87 -13.67 22.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.501 ' CE1' HG23 ' A' ' 31' ' ' ILE . 3.2 t80 -85.58 -29.08 24.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.583 ' HG ' HD11 ' A' ' 31' ' ' ILE . 19.7 mt -78.75 -44.45 23.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -49.6 -31.19 10.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -73.39 -29.16 62.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -85.21 -40.69 16.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.0 p -56.3 -20.25 17.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -104.75 43.65 1.63 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.441 ' HB3' HD23 ' A' ' 62' ' ' LEU . . . -132.89 160.22 37.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.694 0.283 . . . . 0.0 111.082 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.3 pt -82.41 38.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.441 HD23 ' HB3' ' A' ' 60' ' ' ALA . 4.4 pp -93.6 145.39 29.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 150.43 68.46 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.734 2.289 . . . . 0.0 112.35 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 105.02 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.307 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.9 p -114.37 104.84 12.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.03 146.23 16.82 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.5 Cg_endo -69.8 -4.5 14.18 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.283 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 67' ' ' PRO . 75.0 m -34.63 -70.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.3 t -54.02 -55.54 26.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.557 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 t -169.67 144.27 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.845 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -131.2 161.26 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.14 103.61 0.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 m -108.49 116.77 32.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.9 m -98.04 146.27 25.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.77 104.01 1.57 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -101.21 -53.56 2.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.65 0.262 . . . . 0.0 110.818 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 59.42 43.08 16.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -153.42 136.53 15.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 11' ' ' ILE . 21.6 tt -89.48 116.51 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.044 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -62.55 120.26 10.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.79 156.35 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -118.3 84.93 2.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -169.39 144.08 2.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.431 HG21 HD12 ' A' ' 45' ' ' ILE . 1.4 t -144.57 171.49 14.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.668 HD22 ' HB2' ' A' ' 44' ' ' ARG . 3.5 tt -86.73 106.51 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.83 144.86 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.065 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.22 160.64 4.67 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.603 0.716 . . . . 0.0 111.13 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.8 -41.13 4.48 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.26 -25.15 67.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.1 t -89.52 -33.89 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.431 ' HA ' HD11 ' A' ' 33' ' ' LEU . 32.2 mtp85 -61.53 -21.68 64.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.446 ' NH2' ' OE2' ' A' ' 28' ' ' GLU . 9.5 ttt85 -88.74 -26.09 21.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.553 ' HG ' HG21 ' A' ' 50' ' ' ILE . 11.5 tp -63.94 -21.18 66.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.06 -50.78 5.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.5 ptp -52.82 -28.67 23.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.446 ' OE2' ' NH2' ' A' ' 24' ' ' ARG . 5.4 mm-40 -78.99 -32.09 45.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.486 ' HB3' HD21 ' A' ' 54' ' ' LEU . 69.7 m-80 -105.09 15.83 26.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 m120 51.51 39.92 25.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.729 HG23 ' CE1' ' A' ' 53' ' ' TYR . 92.5 mt -96.23 143.85 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -94.1 93.19 7.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.942 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 32' ' ' LYS . 9.8 mt -34.05 -59.02 0.44 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.0 t -47.93 -41.75 25.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 32' ' ' LYS . 16.0 mm-40 -68.68 -26.09 65.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.759 HG22 ' CD2' ' A' ' 53' ' ' TYR . 54.5 t -73.33 135.28 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.9 t -77.57 99.26 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.78 138.91 43.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.493 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m -88.56 -41.26 12.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.367 . . . . 0.0 110.829 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.14 172.98 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -71.97 -61.87 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.773 0.321 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' ARG . 67.1 m-20 -75.93 63.98 1.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.832 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.9 24.91 0.19 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.591 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.668 ' HB2' HD22 ' A' ' 17' ' ' LEU . 34.6 ttm-85 -76.19 119.39 20.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.823 0.344 . . . . 0.0 110.839 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.431 HD12 HG21 ' A' ' 16' ' ' THR . 7.7 mt -86.26 122.31 38.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.9 mt -93.64 -176.07 3.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -70.51 -39.45 74.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -55.82 -51.25 68.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.413 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 81.6 m-20 -40.29 -45.14 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.553 HG21 ' HG ' ' A' ' 25' ' ' LEU . 6.2 mm -54.94 -51.31 54.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.3 mt -59.87 -20.2 55.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -90.81 -21.52 21.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.759 ' CD2' HG22 ' A' ' 36' ' ' VAL . 12.6 t80 -80.9 -21.77 40.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.555 HD23 ' NE2' ' A' ' 57' ' ' GLN . 19.9 mt -82.33 -36.09 27.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.489 ' O ' ' CG2' ' A' ' 58' ' ' THR . 3.0 pt-20 -63.59 -25.8 68.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -74.73 -32.0 61.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.555 ' NE2' HD23 ' A' ' 54' ' ' LEU . 8.9 mt-30 -66.06 -62.66 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 55' ' ' GLU . 1.4 p 51.64 26.15 3.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.4 63.95 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.46 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -123.53 97.52 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.759 0.314 . . . . 0.0 111.143 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 mt 43.87 44.0 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.4 mt -91.7 147.67 35.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.555 0.693 . . . . 0.0 110.982 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 148.69 65.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -50.77 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.295 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -47.5 151.43 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.83 163.54 45.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -37.11 9.71 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.246 . . . . 0.0 112.394 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.7 p -57.1 119.0 5.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.8 p -123.45 167.25 14.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.0 p -111.0 -44.96 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.5 p -111.38 158.6 18.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.64 106.91 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.1 p -170.53 170.5 6.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -92.1 99.09 11.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.27 78.63 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.438 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.28 40.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.675 0.274 . . . . 0.0 110.822 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -131.36 83.41 2.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -74.23 93.06 2.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 11' ' ' ILE . 6.7 tt -101.36 125.53 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -88.07 -43.61 11.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.64 86.99 0.66 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.6 mtp-105 -67.9 105.96 2.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.351 . . . . 0.0 110.845 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -133.71 103.74 6.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 t -121.96 163.16 19.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.73 105.26 4.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.57 136.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.055 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.27 160.63 0.35 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.538 0.685 . . . . 0.0 111.203 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -40.86 4.84 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.89 -27.37 69.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.102 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.8 t -86.81 -34.85 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.551 ' HA ' HD11 ' A' ' 33' ' ' LEU . 69.3 mtp180 -57.74 -24.23 55.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -85.78 -41.74 14.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.42 HD23 ' CB ' ' A' ' 50' ' ' ILE . 10.2 tp -44.75 -26.03 0.35 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.569 ' HB1' ' O ' ' A' ' 31' ' ' ILE . . . -84.35 -48.16 9.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.04 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.0 ptm -57.6 -29.0 64.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -82.29 -29.29 31.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -108.31 17.43 22.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 46.55 50.67 12.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.651 HG23 ' CE1' ' A' ' 53' ' ' TYR . 62.7 mt -109.49 140.98 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 33' ' ' LEU . 4.5 mptt -90.76 92.74 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.551 HD11 ' HA ' ' A' ' 23' ' ' ARG . 8.6 mt -34.21 -59.41 0.44 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 t -43.08 -43.01 4.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.796 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' LYS . 77.3 mm-40 -68.61 -34.32 75.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.467 HG12 ' HB3' ' A' ' 49' ' ' ASP . 58.4 t -61.36 130.61 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.092 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.3 t -72.39 102.56 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.22 135.12 36.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.446 ' HB3' ' CD1' ' A' ' 46' ' ' LEU . 34.9 t -84.13 -48.89 9.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.976 0.417 . . . . 0.0 110.898 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -43.5 166.42 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HE3' ' N ' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -76.15 -49.41 17.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.3 47.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.03 21.39 24.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.401 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -74.9 108.99 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.8 mt -78.64 116.13 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 39' ' ' SER . 10.9 mt -86.53 168.87 13.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -58.59 -43.49 89.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -50.79 -46.89 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.467 ' HB3' HG12 ' A' ' 36' ' ' VAL . 66.4 m-20 -46.4 -39.92 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.42 ' CB ' HD23 ' A' ' 25' ' ' LEU . 27.7 mm -61.32 -46.33 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.9 mt -66.13 -17.69 64.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -93.13 -22.64 18.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.651 ' CE1' HG23 ' A' ' 31' ' ' ILE . 1.5 t80 -79.05 -20.48 48.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.3 mt -84.48 -47.81 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.022 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 4.8 pt-20 -50.48 -30.95 13.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 55' ' ' GLU . 46.6 mtmt -70.91 -34.16 71.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 58' ' ' THR . 3.3 mm100 -78.72 -54.75 5.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' GLN . 71.8 p -36.43 -50.31 0.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.108 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -41.79 -87.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.54 120.04 4.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.738 0.304 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.4 pt -120.24 111.51 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.6 mt -139.67 144.1 37.82 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.588 0.709 . . . . 0.0 110.945 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.21 54.28 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.716 2.277 . . . . 0.0 112.342 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 125.61 12.3 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.7 m -60.22 89.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.98 146.58 18.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -40.37 5.32 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.636 2.224 . . . . 0.0 112.335 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.6 t -60.13 116.93 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -128.61 84.01 2.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.515 -179.887 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -119.08 -43.82 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.871 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 t -94.95 107.87 19.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.764 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.94 137.29 0.66 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.521 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 t -105.65 -46.96 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 p -57.43 117.79 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.06 174.86 34.56 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.1 m80 -67.13 122.46 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 110.811 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -106.39 -44.18 4.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 56.3 45.54 22.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.403 HG13 ' N ' ' A' ' 12' ' ' LYS . 4.2 tp -49.21 146.43 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.161 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' N ' HG13 ' A' ' 11' ' ' ILE . 20.6 pttp -58.58 133.58 55.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.61 74.79 0.41 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.425 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -57.39 -56.08 26.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -127.38 81.57 2.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.472 HG21 ' HB3' ' A' ' 33' ' ' LEU . 4.6 m -50.82 148.4 4.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.48 103.08 15.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.73 156.81 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.77 160.68 13.97 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.536 0.684 . . . . 0.0 111.2 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -39.78 6.1 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.357 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.45 -32.49 74.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.4 t -79.85 -39.16 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -52.46 -27.98 18.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -80.86 -38.85 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.562 HD23 ' HB ' ' A' ' 50' ' ' ILE . 12.2 tp -48.61 -19.06 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 30' ' ' ASN . . . -92.19 -49.72 6.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.058 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.8 ptp -55.66 -30.59 61.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -79.74 -33.53 40.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -104.18 15.27 28.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 26' ' ' ALA . 36.7 m-20 47.19 48.46 15.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.681 HD11 ' HG ' ' A' ' 54' ' ' LEU . 81.2 mt -100.77 142.78 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -89.75 92.76 9.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.472 ' HB3' HG21 ' A' ' 16' ' ' THR . 11.2 mt -34.2 -59.59 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -45.12 -41.56 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 32' ' ' LYS . 8.1 mm-40 -69.05 -37.05 78.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.3 t -55.81 121.8 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.1 t -66.84 98.3 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.5 142.82 47.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.6 t -101.14 -43.48 5.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.872 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.68 162.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -65.41 -57.51 8.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.754 0.311 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.98 54.15 1.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.12 16.02 1.81 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.547 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -69.05 119.05 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 59.5 mt -82.97 124.38 39.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.8 mt -95.57 151.39 19.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.7 -43.18 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.866 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.6 mp0 -50.96 -60.21 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.5 m-20 -34.67 -47.34 0.33 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.562 ' HB ' HD23 ' A' ' 25' ' ' LEU . 9.2 mm -57.9 -63.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 mt -54.99 -24.74 25.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -86.03 -22.14 27.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 3.9 t80 -79.21 -26.34 42.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.681 ' HG ' HD11 ' A' ' 31' ' ' ILE . 39.2 mt -80.11 -47.67 14.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -50.65 -27.51 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.819 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -76.12 -34.23 59.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 58' ' ' THR . 2.8 mm100 -79.21 -55.32 5.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 57' ' ' GLN . 82.0 p -34.2 113.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.58 -44.04 1.57 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.428 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 61' ' ' ILE . . . -49.41 97.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.319 . . . . 0.0 111.087 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 60' ' ' ALA . 3.3 mt 36.98 49.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -70.51 145.39 92.73 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.583 0.706 . . . . 0.0 110.954 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 148.86 66.27 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.737 2.291 . . . . 0.0 112.339 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 175.57 8.01 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 0.0 112.279 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -69.9 155.17 40.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -53.73 -94.78 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.529 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 90.37 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.604 2.202 . . . . 0.0 112.316 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.1 t -143.97 149.03 36.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -65.54 -44.87 85.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.466 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -85.53 132.3 34.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -133.03 125.85 30.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.62 159.86 9.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.423 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -158.5 151.15 22.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.854 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -96.26 159.3 15.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.42 116.38 1.25 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -161.44 164.43 29.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -68.85 117.93 11.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' ILE . 9.3 tt0 -87.97 147.12 25.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' GLU . 18.8 tt -37.18 149.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -79.25 -54.4 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.56 170.82 20.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -74.66 -59.23 2.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.402 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -67.79 107.54 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.978 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -57.2 151.87 14.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.587 HD22 ' HB2' ' A' ' 44' ' ' ARG . 2.2 tt -109.67 102.54 11.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -173.84 154.82 2.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.94 160.54 10.8 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.585 0.707 . . . . 0.0 111.144 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.63 -42.48 3.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.725 2.283 . . . . 0.0 112.369 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.17 -32.72 72.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.9 t -79.18 -39.83 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.447 ' HG2' HD11 ' A' ' 33' ' ' LEU . 30.9 mtp180 -53.15 -40.03 63.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' ALA . 11.7 ttt-85 -66.4 -48.08 71.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.506 HD23 ' HB ' ' A' ' 50' ' ' ILE . 10.5 tp -41.96 -23.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -84.77 -52.16 6.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.047 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.0 ptp -54.88 -26.5 36.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -82.41 -37.94 24.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.572 ' HB3' HD21 ' A' ' 54' ' ' LEU . 56.3 m-80 -98.39 15.52 24.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.3 m120 49.32 44.88 23.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.725 HG23 ' CE1' ' A' ' 53' ' ' TYR . 84.3 mt -98.85 138.82 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.058 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 35' ' ' GLU . 9.6 mptt -86.92 93.63 9.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 33' ' ' LEU . 9.9 mt -34.22 -58.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.2 t -47.05 -41.47 16.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' LYS . 16.4 mm-40 -68.5 -29.66 68.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.604 HG22 ' CD2' ' A' ' 53' ' ' TYR . 24.6 t -72.19 96.57 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -54.77 96.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.58 155.02 0.23 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.6 t -105.08 -48.8 3.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.907 0.384 . . . . 0.0 110.84 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.86 155.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -50.8 -52.93 36.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' GLY . 26.2 m-20 -81.9 60.37 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.82 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 42' ' ' ASP . . . 35.81 34.22 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.587 ' HB2' HD22 ' A' ' 17' ' ' LEU . 42.9 ttp180 -84.78 131.81 34.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.8 mt -89.69 114.91 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.1 mt -91.05 170.21 10.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.945 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -57.96 -39.15 77.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -59.69 -39.98 86.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.426 ' CG ' HG12 ' A' ' 36' ' ' VAL . 15.8 t0 -53.45 -43.63 68.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.506 ' HB ' HD23 ' A' ' 25' ' ' LEU . 14.1 mm -59.82 -47.28 92.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.8 mt -66.84 -18.47 65.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -94.25 -18.62 21.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.725 ' CE1' HG23 ' A' ' 31' ' ' ILE . 3.4 t80 -80.8 -29.03 36.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 29' ' ' ASN . 16.6 mt -78.77 -46.5 18.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -49.01 -28.69 4.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -73.78 -31.91 63.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 58' ' ' THR . 27.9 mm-40 -80.27 -64.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.465 HG23 ' H ' ' A' ' 59' ' ' GLY . 1.2 t -34.29 -52.2 0.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.465 ' H ' HG23 ' A' ' 58' ' ' THR . . . -88.65 65.2 3.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.438 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.87 96.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.746 0.308 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.4 mt 45.98 37.69 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -130.9 149.5 73.88 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 110.913 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 148.62 65.86 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.324 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -175.28 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -53.95 -48.95 69.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.13 146.29 4.3 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.43 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 175.61 7.89 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.712 2.275 . . . . 0.0 112.289 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.3 t -71.66 153.87 41.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.802 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 t -90.0 -48.67 7.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.443 179.924 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -61.4 145.71 50.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -74.39 115.87 14.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.11 -147.49 19.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -110.96 155.68 22.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.2 p -152.39 135.58 15.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.99 108.52 1.93 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 8' ' ' HIS . 11.4 p80 -112.85 99.28 7.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.759 0.314 . . . . 0.0 110.754 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -118.45 153.62 33.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -133.57 80.89 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 tp -75.9 -33.44 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -169.14 161.03 10.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.22 -164.97 13.59 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.491 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.6 ttt-85 -110.63 127.15 55.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.18 144.96 40.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.828 HG21 ' HB3' ' A' ' 33' ' ' LEU . 6.8 m -82.16 129.98 34.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.151 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.3 tp -85.97 107.48 17.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.96 164.97 3.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.49 160.71 70.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.522 0.677 . . . . 0.0 111.127 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -40.03 5.81 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.71 -31.54 72.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.4 t -81.03 -37.81 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -54.73 -27.34 40.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 26' ' ' ALA . 9.3 ttt180 -80.21 -44.99 18.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.615 ' HG ' HG21 ' A' ' 50' ' ' ILE . 11.1 tp -42.15 -25.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -86.5 -51.76 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -54.25 -26.46 29.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -83.58 -31.21 26.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.461 ' HB3' HD21 ' A' ' 54' ' ' LEU . 57.0 m-80 -105.93 18.02 22.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 48.71 48.93 19.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.496 ' CG2' ' CG2' ' A' ' 36' ' ' VAL . 61.6 mt -101.12 142.07 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 35' ' ' GLU . 6.4 mptt -90.8 92.69 8.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.828 ' HB3' HG21 ' A' ' 16' ' ' THR . 8.8 mt -35.29 -45.15 0.3 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.0 t -57.23 -44.16 83.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 32' ' ' LYS . 5.6 mm-40 -69.19 -34.59 75.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.752 HG12 ' OD2' ' A' ' 49' ' ' ASP . 13.9 t -63.8 102.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 81.1 t -61.2 97.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -53.62 171.19 0.79 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' GLY . 1.3 t -122.69 -43.08 2.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.945 0.402 . . . . 0.0 110.858 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -36.64 154.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.498 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.78 -54.25 15.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.707 0.289 . . . . 0.0 110.846 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.68 31.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.59 3.53 58.8 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.6 ttm-85 -53.12 108.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.765 0.317 . . . . 0.0 110.829 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.486 HG23 ' OD2' ' A' ' 49' ' ' ASP . 19.4 mt -66.08 117.9 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.2 mt -92.24 167.0 12.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.1 tttt -54.46 -42.6 70.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -52.85 -44.69 66.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.752 ' OD2' HG12 ' A' ' 36' ' ' VAL . 12.2 t0 -48.88 -44.48 40.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.615 HG21 ' HG ' ' A' ' 25' ' ' LEU . 17.6 mm -55.92 -50.99 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.51 -21.14 65.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.979 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -87.62 -19.14 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.596 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 2.3 t80 -86.76 -19.57 28.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 29' ' ' ASN . 12.1 mt -90.2 -41.23 11.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.91 -27.92 2.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -76.71 -33.99 58.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' THR . 2.8 mm100 -78.35 -55.49 5.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 57' ' ' GLN . 74.0 p -34.56 128.05 0.45 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.34 -53.76 0.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.564 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.58 140.88 21.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.8 pt -105.65 40.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.5 mt -69.94 157.91 88.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.585 0.707 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 159.51 53.18 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.741 2.294 . . . . 0.0 112.379 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.33 44.73 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.9 t -126.13 161.89 26.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.52 82.91 0.16 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.565 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 175.91 7.47 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.667 2.245 . . . . 0.0 112.347 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.0 p -135.69 142.51 45.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.6 p -169.52 106.44 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.496 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -149.1 116.38 6.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 p -146.24 146.22 30.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.61 141.35 8.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.456 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -121.44 105.25 10.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 110.843 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 m -91.16 113.91 26.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.18 -120.16 6.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -121.7 171.25 9.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.7 0.286 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -117.09 148.68 41.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 41.01 53.38 3.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.2 tt -86.07 149.15 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.165 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -100.34 -47.99 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.12 21.74 48.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.9 mtp-105 -129.07 157.43 41.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -57.21 150.96 16.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 m -78.68 136.88 37.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.0 mt -91.96 117.63 30.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.04 149.92 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.29 160.87 28.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.703 . . . . 0.0 111.114 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -36.18 11.08 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.329 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.31 -37.2 84.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.086 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.647 HG13 HG13 ' A' ' 50' ' ' ILE . 54.0 t -76.34 -40.02 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.168 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.3 mtp85 -48.92 -32.38 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -79.28 -40.76 29.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.525 HD23 ' HB ' ' A' ' 50' ' ' ILE . 12.1 tp -49.14 -19.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.42 -51.11 5.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.4 ptp -54.91 -32.6 61.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -78.07 -34.81 50.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.933 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.508 ' HB3' HD21 ' A' ' 54' ' ' LEU . 66.1 m-80 -102.21 19.06 19.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.7 m120 44.16 49.62 7.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.549 HD11 ' HG ' ' A' ' 54' ' ' LEU . 81.3 mt -104.08 139.53 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.483 ' HB2' ' CG ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -90.11 95.46 10.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 33' ' ' LEU . 8.7 mt -35.44 -54.34 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 t -49.76 -41.32 43.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.483 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 7.7 mm-40 -69.65 -29.3 66.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.613 HG22 ' CD2' ' A' ' 53' ' ' TYR . 44.7 t -70.88 126.97 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.4 t -72.19 103.51 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.31 148.94 36.51 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.4 t -117.62 -33.71 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.393 . . . . 0.0 110.869 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 44' ' ' ARG . . . -50.78 153.8 3.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -48.07 149.49 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 61.99 38.77 13.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.52 26.69 57.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.522 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 40' ' ' GLY . 10.9 ttt85 -77.17 138.65 39.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.864 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.3 mt -92.28 143.28 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.5 mt -110.6 -177.83 3.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -68.56 -41.34 79.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -54.55 -47.6 73.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -47.23 -49.31 23.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.647 HG13 HG13 ' A' ' 22' ' ' VAL . 7.1 mm -54.26 -45.14 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.1 mt -66.79 -18.86 65.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -94.64 -19.13 20.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.613 ' CD2' HG22 ' A' ' 36' ' ' VAL . 1.2 t80 -80.95 -26.4 36.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.549 ' HG ' HD11 ' A' ' 31' ' ' ILE . 36.6 mt -79.16 -47.87 15.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.475 ' HA ' ' CG2' ' A' ' 58' ' ' THR . 10.5 pt-20 -48.35 -32.76 7.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -68.81 -33.85 74.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 59' ' ' GLY . 4.8 mm100 -79.03 -64.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.475 ' CG2' ' HA ' ' A' ' 55' ' ' GLU . 1.4 t -35.29 -31.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 57' ' ' GLN . . . -107.75 68.94 0.22 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -114.81 -178.7 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 111.066 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 pt -91.58 95.72 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.614 ' C ' HD12 ' A' ' 62' ' ' LEU . 2.1 pp -140.74 144.33 35.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.587 0.708 . . . . 0.0 110.923 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.533 ' O ' HD12 ' A' ' 62' ' ' LEU . 54.8 Cg_endo -69.67 149.19 67.11 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.697 2.264 . . . . 0.0 112.376 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 0.75 5.21 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.774 2.316 . . . . 0.0 112.343 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.0 m -38.71 -39.8 0.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 174.5 78.28 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.52 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -1.57 8.64 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.381 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.9 p 55.91 34.99 24.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.6 t -112.75 168.31 9.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.239 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.43 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -54.38 -49.3 70.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.394 . . . . 0.0 110.966 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -48.62 119.14 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.69 -61.65 0.28 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.3 t -163.02 117.88 1.72 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.835 0.35 . . . . 0.0 110.779 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 m -76.16 142.73 41.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.47 -88.73 1.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.557 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -74.21 155.44 38.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.686 0.279 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -121.19 -47.84 2.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -137.21 155.29 49.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 tt -90.71 148.99 4.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -85.7 -40.8 15.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.47 81.58 1.6 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.2 mtt-85 -97.77 84.29 3.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.938 0.399 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -79.8 159.57 26.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.453 HG21 ' HB3' ' A' ' 33' ' ' LEU . 5.3 t -134.83 167.73 20.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.33 102.25 8.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.48 133.68 2.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.991 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.81 160.77 0.23 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.527 0.68 . . . . 0.0 111.171 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -39.36 6.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.646 2.231 . . . . 0.0 112.303 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.61 -27.34 68.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.1 t -85.54 -34.98 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.571 ' HA ' HD11 ' A' ' 33' ' ' LEU . 20.0 mtp85 -57.27 -23.3 47.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -86.75 -36.77 18.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.529 ' HG ' HG21 ' A' ' 50' ' ' ILE . 12.2 tp -50.83 -22.91 2.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.523 ' HB1' ' O ' ' A' ' 31' ' ' ILE . . . -87.17 -53.43 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -54.7 -22.11 12.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -90.94 -21.14 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.5 ' HB3' HD21 ' A' ' 54' ' ' LEU . 50.3 m-80 -114.73 14.75 17.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 51.47 51.52 16.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.766 HG23 ' CE1' ' A' ' 53' ' ' TYR . 25.9 mt -115.32 141.89 30.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' HB2' ' CG ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -94.38 95.63 9.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.83 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' A' ' 23' ' ' ARG . 9.2 mt -37.49 -59.68 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.1 t -43.89 -37.68 2.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 5.1 mm-40 -71.15 -32.12 68.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.659 HG22 ' CD2' ' A' ' 53' ' ' TYR . 21.4 t -70.32 119.2 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.6 t -69.33 100.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.11 155.46 21.86 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.563 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.42 ' HB2' HD13 ' A' ' 46' ' ' LEU . 14.4 m -118.93 -37.25 3.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 110.827 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.437 ' H ' ' CD1' ' A' ' 46' ' ' LEU . . . -40.27 156.91 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.52 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -36.52 -70.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.763 0.316 . . . . 0.0 110.892 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -81.73 55.81 2.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.28 18.02 2.07 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.539 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.536 ' O ' HD12 ' A' ' 46' ' ' LEU . 24.0 ttm180 -64.74 113.36 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 110.911 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.2 mt -67.04 112.04 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 44' ' ' ARG . 6.1 mp -80.05 152.24 29.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -45.54 -40.51 8.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -55.93 -41.76 75.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -49.46 -39.89 35.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.529 HG21 ' HG ' ' A' ' 25' ' ' LEU . 16.0 mm -60.64 -47.7 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.3 mt -66.92 -21.4 65.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -88.85 -24.62 22.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.766 ' CE1' HG23 ' A' ' 31' ' ' ILE . 1.7 t80 -80.26 -21.61 42.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.668 ' CD2' HD11 ' A' ' 31' ' ' ILE . 49.2 mt -78.96 -43.7 24.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -56.73 -25.65 55.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -82.95 -42.29 17.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -71.78 -30.83 65.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 54' ' ' LEU . 51.8 p -69.67 -42.77 73.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.205 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -92.0 44.1 2.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -98.87 178.03 5.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.656 0.265 . . . . 0.0 111.154 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.9 pt -112.34 37.17 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.173 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.3 mp -52.95 152.74 6.85 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.684 0.754 . . . . 0.0 110.947 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 148.69 65.57 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.71 -35.03 13.54 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.309 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.7 m -38.87 118.43 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -130.03 66.92 0.57 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -16.46 37.66 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.712 2.275 . . . . 0.0 112.414 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.3 m -93.03 -59.42 2.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.6 p -103.1 125.79 49.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 p -113.61 172.19 7.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.6 p -129.28 -53.26 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.14 141.43 1.74 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.549 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -161.33 145.18 13.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.391 . . . . 0.0 110.837 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 p -173.42 161.72 4.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.26 52.29 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.535 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -170.93 148.23 2.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.795 0.331 . . . . 0.0 110.81 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -167.06 106.24 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -139.18 123.96 18.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.816 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.1 tt -141.78 154.51 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.197 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -104.14 173.64 6.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.05 -172.8 19.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -133.76 92.68 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt -133.21 136.39 45.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.645 HG21 ' HB3' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -113.18 139.2 48.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 tp -84.14 106.44 15.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.405 ' HB2' ' HB ' ' A' ' 45' ' ' ILE . . . -174.28 157.24 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.68 160.77 24.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 111.158 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -37.69 8.65 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -32.75 74.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.1 t -79.72 -39.46 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 7.1 mtp-105 -49.71 -26.63 3.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -90.14 -24.49 21.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.575 ' HG ' HG21 ' A' ' 50' ' ' ILE . 11.4 tp -63.25 -21.0 65.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.05 -42.03 9.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -61.64 -22.51 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -88.29 -30.1 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.461 ' HB3' HD21 ' A' ' 54' ' ' LEU . 64.8 m-80 -102.89 10.66 38.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.1 t30 51.88 45.56 28.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.636 HG23 ' CE1' ' A' ' 53' ' ' TYR . 93.4 mt -102.34 138.03 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.472 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -85.53 100.35 11.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.808 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.658 HD22 HD13 ' A' ' 45' ' ' ILE . 11.1 mt -43.38 -50.26 6.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -52.87 -32.04 42.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.458 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 14.1 mm-40 -82.86 -18.45 40.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.898 HG12 ' OD2' ' A' ' 49' ' ' ASP . 17.8 t -86.18 107.39 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.158 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.4 t -66.85 102.31 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.65 146.43 49.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.51 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 40' ' ' GLY . 3.9 m -83.02 -38.11 23.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.819 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -35.56 153.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.558 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -57.43 -49.8 75.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -84.27 22.1 1.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.56 0.77 90.08 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.391 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -49.32 120.85 4.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.658 HD13 HD22 ' A' ' 33' ' ' LEU . 17.3 mt -80.64 109.31 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 mt -80.03 -176.02 5.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.5 tttt -70.92 -43.49 68.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -53.44 -46.83 70.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.898 ' OD2' HG12 ' A' ' 36' ' ' VAL . 13.8 t0 -39.55 -52.75 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.575 HG21 ' HG ' ' A' ' 25' ' ' LEU . 15.9 mm -52.59 -57.86 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.5 mt -54.03 -18.68 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -93.59 -19.72 20.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.844 ' CD2' HG22 ' A' ' 36' ' ' VAL . 8.4 t80 -82.14 -27.31 32.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 29' ' ' ASN . 26.9 mt -75.84 -35.17 60.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.964 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.452 ' O ' ' CG2' ' A' ' 58' ' ' THR . 3.0 pt-20 -64.0 -26.14 68.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -73.96 -29.14 61.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -68.6 -64.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.452 ' CG2' ' O ' ' A' ' 55' ' ' GLU . 3.0 p 54.64 36.72 26.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.64 -40.53 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.94 -176.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.73 0.3 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 pt -96.73 104.88 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.437 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -120.68 156.42 56.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.588 0.709 . . . . 0.0 110.938 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 166.51 27.33 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.712 2.274 . . . . 0.0 112.355 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -40.42 5.49 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.738 2.292 . . . . 0.0 112.379 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.2 m -66.27 116.22 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -139.84 83.36 0.23 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 143.43 50.72 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.268 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.1 t -145.24 138.9 26.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.1 p -126.76 166.05 18.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.583 -0.207 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 m -127.82 130.24 48.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.351 . . . . 0.0 110.845 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -83.84 156.13 22.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.29 158.65 28.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -170.64 107.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.949 0.404 . . . . 0.0 110.862 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 p -120.65 151.0 40.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.4 74.87 0.27 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -131.4 130.87 43.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.749 0.309 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -147.06 137.46 23.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.45 ' C ' ' CD ' ' A' ' 10' ' ' GLU . 1.3 pp20? -162.35 151.59 15.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.5 tt -125.23 152.0 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -174.84 155.32 2.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.6 81.02 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -153.68 152.27 30.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.903 0.382 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -74.2 81.44 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -41.7 146.7 0.23 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -95.17 97.95 10.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.0 155.21 1.96 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.078 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.4 160.61 23.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.546 0.688 . . . . 0.0 111.119 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -40.56 5.19 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.733 2.289 . . . . 0.0 112.343 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.44 -37.24 82.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.3 t -77.43 -39.78 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -52.48 -33.59 45.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 26' ' ' ALA . 14.3 ttm180 -73.92 -48.42 30.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 24' ' ' ARG . 15.1 tp -36.22 -30.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -84.85 -45.7 12.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.025 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' ARG . 2.4 ptm -56.76 -21.61 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.811 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -92.88 -23.34 18.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.477 ' HB3' HD21 ' A' ' 54' ' ' LEU . 35.9 m-80 -109.73 14.26 23.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 m120 48.54 53.27 12.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.599 HD11 HD21 ' A' ' 54' ' ' LEU . 69.1 mt -109.09 142.65 21.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.478 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -89.34 92.84 9.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.8 mt -34.15 -58.07 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.6 t -44.93 -44.03 9.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.817 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' LYS . 33.5 mm-40 -68.9 -29.95 68.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -69.66 97.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 37' ' ' VAL . 7.1 p -54.8 104.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.21 148.26 50.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.54 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 40' ' ' GLY . 11.1 m -96.51 -43.36 7.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.017 0.437 . . . . 0.0 110.955 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -37.75 156.47 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.534 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -55.41 -57.62 11.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.88 47.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.86 16.29 7.54 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.446 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -67.35 112.96 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.341 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.1 mt -73.53 122.38 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 47' ' ' LYS . 21.3 mt -100.33 150.19 22.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 46' ' ' LEU . 28.7 tttm -34.83 -46.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 49' ' ' ASP . 1.8 mp0 -50.2 -60.98 2.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 48' ' ' GLU . 23.0 m-20 -34.41 -40.73 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.3 mm -59.31 -50.74 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' GLU . 36.0 mt -60.8 -18.27 54.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.93 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -89.14 -18.71 26.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.494 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 7.7 t80 -87.67 -21.43 25.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.599 HD21 HD11 ' A' ' 31' ' ' ILE . 9.7 mt -87.92 -40.24 14.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -48.35 -27.58 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -79.71 -28.77 40.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -84.81 -48.96 8.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.6 p -55.69 -16.07 3.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.178 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.15 -29.96 6.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.29 154.55 37.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.708 0.289 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.577 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -70.17 0.16 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.814 HD12 ' O ' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -89.0 143.73 31.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.606 0.717 . . . . 0.0 110.963 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.814 ' O ' HD12 ' A' ' 62' ' ' LEU . 53.6 Cg_endo -69.82 148.37 64.54 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 65' ' ' SER . 53.9 Cg_endo -69.76 95.53 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 64' ' ' PRO . 3.2 t -35.05 104.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.35 146.19 9.52 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.523 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 123.76 10.44 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.68 2.253 . . . . 0.0 112.318 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.4 t -153.32 108.01 3.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 m -43.3 133.32 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.467 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.41 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 38.87 43.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 110.78 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -71.75 -55.3 7.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.813 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.72 53.74 0.48 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.539 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 m -44.6 158.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -135.22 136.63 41.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.4 130.83 1.27 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -136.38 136.56 39.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.777 0.322 . . . . 0.0 110.803 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 -71.14 -26.95 63.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -108.79 140.73 41.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 12' ' ' LYS . 8.9 tp -103.98 150.55 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' N ' HG13 ' A' ' 11' ' ' ILE . 16.7 pttm -99.37 41.72 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.97 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.95 77.77 0.47 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.524 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -67.27 -48.81 66.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.863 0.363 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.407 ' NZ ' ' HB2' ' A' ' 15' ' ' LYS . 6.6 mtmp? -108.64 170.58 7.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 m -85.89 151.04 24.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.85 108.89 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.561 ' HB2' ' HB ' ' A' ' 45' ' ' ILE . . . -173.53 138.99 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -42.13 160.64 0.17 Allowed Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.562 0.696 . . . . 0.0 111.108 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 -39.24 6.93 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.656 2.237 . . . . 0.0 112.377 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.52 -30.25 70.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.056 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.5 t -79.87 -36.86 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -56.25 -26.5 51.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -84.73 -39.67 18.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.494 HD23 ' CB ' ' A' ' 50' ' ' ILE . 13.0 tp -46.87 -23.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.54 -55.38 4.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ptm -49.35 -33.38 13.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -76.76 -27.71 55.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.645 ' HB3' HD21 ' A' ' 54' ' ' LEU . 59.6 m-80 -110.32 19.33 18.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.23 42.99 7.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.779 HG23 ' CE1' ' A' ' 53' ' ' TYR . 77.8 mt -97.1 142.15 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HB2' ' CG ' ' A' ' 35' ' ' GLU . 7.0 mptt -90.64 98.13 11.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 33' ' ' LEU . 11.3 mt -40.76 -56.37 2.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.1 t -48.23 -33.43 8.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.46 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 70.4 mm-40 -75.86 -30.18 58.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.946 HG12 ' OD2' ' A' ' 49' ' ' ASP . 13.6 t -73.57 98.01 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.108 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 37' ' ' VAL . 6.2 p -62.03 100.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.89 170.95 42.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.6 m -123.85 -45.12 2.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.372 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.806 ' H ' HD21 ' A' ' 46' ' ' LEU . . . -47.67 139.7 9.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.472 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' GLY . 3.6 ttpm? -36.15 148.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.724 0.297 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 60.07 44.92 12.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.9 20.77 6.57 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.436 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -61.59 112.01 2.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.751 0.31 . . . . 0.0 110.92 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.561 ' HB ' ' HB2' ' A' ' 18' ' ' ALA . 46.9 mt -82.71 126.8 40.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.806 HD21 ' H ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -99.45 144.89 28.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 46' ' ' LEU . 85.1 tttt -35.65 -39.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -53.32 -53.84 45.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.946 ' OD2' HG12 ' A' ' 36' ' ' VAL . 11.9 t0 -42.01 -46.83 4.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.494 ' CB ' HD23 ' A' ' 25' ' ' LEU . 17.5 mm -53.18 -47.1 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.9 mt -65.02 -18.38 65.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -89.89 -17.68 27.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.779 ' CE1' HG23 ' A' ' 31' ' ' ILE . 2.9 t80 -86.8 -24.41 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.645 HD21 ' HB3' ' A' ' 29' ' ' ASN . 9.6 mt -84.67 -43.53 14.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.41 ' CD ' ' HG3' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -44.78 -27.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HG3' ' CD ' ' A' ' 55' ' ' GLU . 50.5 mttm -81.44 -50.91 8.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -31.86 70.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 74.2 p -71.46 106.53 3.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.09 47.14 5.91 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.496 ' O ' ' CD1' ' A' ' 62' ' ' LEU . . . -133.0 174.44 10.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 111.09 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.651 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -76.28 3.29 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.616 ' C ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -48.06 152.03 1.56 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.59 0.71 . . . . 0.0 110.941 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 147.3 62.54 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.783 2.322 . . . . 0.0 112.378 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 138.79 38.64 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.716 2.277 . . . . 0.0 112.342 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.3 t -118.83 110.19 16.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 47.7 -160.23 0.48 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 102.29 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.726 2.284 . . . . 0.0 112.343 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 93.3 p -124.88 168.09 13.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 t -139.68 165.81 26.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.896 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.944 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.1 m -141.37 144.8 34.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -130.76 161.43 31.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.53 72.1 0.33 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.464 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 m -94.33 104.31 16.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 110.865 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -87.73 98.42 11.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.5 88.5 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.36 157.31 19.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.721 0.296 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.08 155.29 3.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 mp0 -118.73 136.13 54.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.0 tt -104.72 -23.75 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -171.13 162.68 7.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.62 62.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -57.26 12.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.865 0.364 . . . . 0.0 110.885 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 pttm -103.43 172.93 6.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.452 HG21 HD13 ' A' ' 33' ' ' LEU . 4.2 m -113.65 145.84 40.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 42' ' ' ASP . 57.5 tp -113.37 104.84 12.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.06 159.57 2.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.064 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.47 160.7 23.2 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.601 0.715 . . . . 0.0 111.144 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.64 -38.46 8.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.631 2.221 . . . . 0.0 112.385 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.62 -32.4 73.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -80.12 -38.94 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.159 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -53.44 -25.97 18.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.799 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' ALA . 3.8 ttt180 -80.29 -48.24 13.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.651 HD23 ' HB ' ' A' ' 50' ' ' ILE . 12.8 tp -42.34 -23.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -86.01 -52.89 5.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.028 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.8 ptp -54.6 -28.35 45.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.86 -34.91 57.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.528 ' HB3' HD21 ' A' ' 54' ' ' LEU . 62.1 m-80 -100.65 13.48 34.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 50.47 42.24 26.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.638 HD11 ' HG ' ' A' ' 54' ' ' LEU . 97.4 mt -97.92 135.12 33.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 35' ' ' GLU . 9.0 mptt -78.93 92.53 4.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.452 HD13 HG21 ' A' ' 16' ' ' THR . 11.4 mt -34.43 -57.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 t -46.25 -41.85 13.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.801 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' LYS . 76.1 mm-40 -68.42 -27.29 66.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.666 HG12 ' OD2' ' A' ' 49' ' ' ASP . 21.4 t -75.5 103.31 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 37' ' ' VAL . 7.1 p -62.07 101.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.97 178.86 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.506 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.5 m -132.92 -38.88 0.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.964 0.411 . . . . 0.0 110.838 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -41.28 156.82 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -45.46 -56.16 5.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.515 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.1 m-20 -84.62 32.49 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.44 5.78 56.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -53.13 114.86 1.6 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.759 0.314 . . . . 0.0 110.91 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.6 mt -68.11 115.32 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.7 mt -87.6 170.1 11.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.489 ' HG3' HD22 ' A' ' 25' ' ' LEU . 23.2 tttm -62.99 -37.73 88.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.94 -33.72 72.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.666 ' OD2' HG12 ' A' ' 36' ' ' VAL . 15.9 t0 -58.75 -40.22 83.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.651 ' HB ' HD23 ' A' ' 25' ' ' LEU . 4.1 mm -61.5 -48.39 89.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.7 mt -66.67 -17.38 64.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.98 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -91.17 -18.52 24.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.549 ' CD2' HG22 ' A' ' 36' ' ' VAL . 3.2 t80 -84.25 -26.28 28.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.638 ' HG ' HD11 ' A' ' 31' ' ' ILE . 37.4 mt -82.49 -39.11 22.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.657 ' O ' HG23 ' A' ' 58' ' ' THR . 3.3 pt-20 -55.05 -26.03 34.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -78.03 -21.32 50.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 59' ' ' GLY . 60.2 mm-40 -72.62 -64.62 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 55' ' ' GLU . 12.6 p 33.98 34.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 57' ' ' GLN . . . -147.63 -44.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.656 ' O ' HD23 ' A' ' 62' ' ' LEU . . . -47.69 165.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.331 . . . . 0.0 111.093 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pt -61.96 74.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 60' ' ' ALA . 1.4 pt? -157.03 150.34 18.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.62 0.724 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 143.75 51.92 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.744 2.296 . . . . 0.0 112.337 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -161.57 172.08 16.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.69 63.83 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 129.23 17.18 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.317 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.4 m -65.53 144.76 56.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.3 m -78.31 -60.44 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.544 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 t -148.82 135.26 19.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 110.865 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 p -151.13 148.13 27.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.785 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.38 167.32 30.01 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.483 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.7 p -88.82 -53.83 4.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.905 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.0 p -79.46 -43.05 23.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.77 -93.56 1.72 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.568 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -126.62 88.75 2.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.779 0.324 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -154.38 133.28 12.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -141.16 141.54 34.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.1 tp -91.29 135.23 27.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.472 ' CE ' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -93.97 -178.13 4.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 179.858 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.46 ' N ' ' HG2' ' A' ' 12' ' ' LYS . . . 151.94 75.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -98.88 -41.21 7.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.352 . . . . 0.0 110.853 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -119.36 105.69 11.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -79.19 154.31 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.205 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 42' ' ' ASP . 39.9 tp -107.17 102.08 11.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.07 161.56 2.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.55 160.83 70.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.585 0.707 . . . . 0.0 111.131 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -39.7 6.1 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.719 2.28 . . . . 0.0 112.364 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.0 -36.23 80.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.2 t -79.05 -37.52 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 9.8 mtp-105 -54.04 -30.06 46.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 26' ' ' ALA . 32.0 ttt180 -77.12 -46.99 21.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.503 HD23 ' HB ' ' A' ' 50' ' ' ILE . 14.4 tp -41.23 -24.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -88.15 -41.92 12.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' ARG . 2.5 ptt? -62.09 -21.76 65.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -87.32 -29.93 21.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -106.44 16.59 24.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 48.19 44.7 19.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.436 HD11 ' HG ' ' A' ' 54' ' ' LEU . 70.5 mt -100.47 134.38 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -82.64 93.76 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.829 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.5 mt -34.11 -59.61 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -42.95 -42.68 3.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' LYS . 73.6 mm-40 -70.16 -31.84 69.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 33' ' ' LEU . 54.3 t -63.67 107.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.069 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.0 t -54.66 102.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.165 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.32 126.03 21.9 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 40' ' ' GLY . 10.3 p -82.52 -44.27 16.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.41 . . . . 0.0 110.869 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -34.52 148.15 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.513 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -45.64 -62.62 1.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.612 ' O ' HD23 ' A' ' 17' ' ' LEU . 64.7 m-20 -78.94 45.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.843 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.34 9.72 6.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -60.34 121.02 11.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.823 0.344 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.9 mt -78.61 118.19 25.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.6 mt -94.89 171.17 8.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 tttp -56.28 -41.92 76.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.22 -48.78 73.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.43 ' HB3' HG12 ' A' ' 36' ' ' VAL . 75.0 m-20 -40.57 -52.05 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.503 ' HB ' HD23 ' A' ' 25' ' ' LEU . 10.2 mm -52.22 -57.92 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.196 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.0 mt -56.65 -18.08 10.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.045 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -90.29 -22.97 21.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.961 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.543 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 1.4 t80 -81.54 -25.79 35.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.436 ' HG ' HD11 ' A' ' 31' ' ' ILE . 33.6 mt -79.03 -45.08 20.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -51.54 -26.25 8.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -78.5 -26.56 45.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -90.35 -31.41 16.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.8 p -66.45 -17.6 64.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.15 -43.65 98.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -44.46 154.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.044 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.7 mt -117.89 102.17 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 pp -93.89 150.77 39.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.587 0.708 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 148.64 65.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.379 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 82.43 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.237 . . . . 0.0 112.303 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.0 m -127.96 175.18 8.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.09 83.42 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 92.88 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.741 2.294 . . . . 0.0 112.279 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.8 t -90.42 100.03 12.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.0 p -96.34 94.6 7.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.558 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m -127.64 100.69 6.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.929 0.395 . . . . 0.0 110.866 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t -92.29 -59.54 2.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.828 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.26 -104.56 1.63 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.0 m 43.85 41.67 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.4 p -74.72 117.32 16.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.03 168.32 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.457 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -76.16 118.1 18.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.741 0.305 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -42.7 -49.63 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -89.06 126.89 35.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.7 tt -112.42 -17.99 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? 51.33 43.47 29.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.53 163.66 26.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.526 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -87.67 -68.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.913 0.387 . . . . 0.0 110.915 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -56.52 145.01 29.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -142.68 126.64 17.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.83 139.17 33.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.84 123.1 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.071 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -39.71 160.87 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.596 0.713 . . . . 0.0 111.117 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 -36.03 11.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.72 2.28 . . . . 0.0 112.322 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -28.87 65.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.196 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.2 t -84.29 -36.36 11.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -56.67 -19.22 15.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -91.16 -40.54 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.3 tp -50.93 -19.79 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.03 -53.71 4.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.1 ptp -51.85 -29.1 18.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -82.14 -23.69 35.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.414 ' HB3' HD21 ' A' ' 54' ' ' LEU . 64.1 m-80 -113.9 16.75 18.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 45.48 51.51 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.595 HG23 ' CE1' ' A' ' 53' ' ' TYR . 68.7 mt -105.04 138.64 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -88.94 98.01 11.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.948 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.863 HD22 HD13 ' A' ' 45' ' ' ILE . 9.3 mt -42.21 -55.86 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.8 t -44.33 -33.07 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -77.41 -33.19 55.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.507 HG22 ' CD2' ' A' ' 53' ' ' TYR . 18.6 t -70.71 127.51 32.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.2 t -74.96 97.89 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.76 146.33 50.07 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.516 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' GLY . 5.5 t -96.91 -49.44 5.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.901 0.381 . . . . 0.0 110.868 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -34.83 142.62 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.414 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -49.07 -57.03 7.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.987 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -75.87 53.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 45.9 22.98 0.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -79.28 118.07 20.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.732 0.301 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.863 HD13 HD22 ' A' ' 33' ' ' LEU . 9.7 mt -76.15 136.04 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.2 mt -101.69 167.9 9.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -59.34 -37.49 77.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -57.78 -44.94 86.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.483 ' HB3' HG12 ' A' ' 36' ' ' VAL . 87.2 m-20 -49.56 -46.69 49.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.8 mm -53.17 -52.46 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.3 mt -59.04 -16.73 20.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -93.18 -13.67 28.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.595 ' CE1' HG23 ' A' ' 31' ' ' ILE . 7.2 t80 -89.16 -28.32 20.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.543 ' HG ' HD11 ' A' ' 31' ' ' ILE . 11.1 mt -80.52 -35.43 34.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -57.93 -25.1 60.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -80.81 -10.65 59.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.41 ' CG ' ' HA ' ' A' ' 54' ' ' LEU . 10.6 mm-40 -75.08 -64.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.7 p 47.79 32.94 2.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -154.1 -43.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.466 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.1 137.85 1.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.729 0.3 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.6 pt -91.1 52.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.0 mt -100.14 152.48 37.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.543 0.687 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 168.62 21.05 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.409 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 135.65 31.18 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.702 2.268 . . . . 0.0 112.407 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 t -48.11 -39.52 20.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.93 -159.38 28.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 2.78 3.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.246 . . . . 0.0 112.372 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.1 m 38.95 50.82 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.775 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.5 t -167.07 125.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 m -115.87 145.06 43.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.945 0.402 . . . . 0.0 110.832 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -50.32 110.68 0.43 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.8 95.83 0.11 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.427 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -111.14 85.82 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.941 0.401 . . . . 0.0 110.892 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 p -108.13 120.84 43.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.18 -49.52 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -106.74 98.43 8.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.775 0.322 . . . . 0.0 110.808 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -116.51 68.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 19.2 mp0 -49.87 124.88 10.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.9 tt -88.49 -25.74 5.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.175 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -142.87 141.35 31.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -159.73 -137.88 2.33 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -49.79 -50.1 46.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -87.48 135.63 33.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 m -114.27 133.95 55.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -87.72 124.83 33.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.15 143.04 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.47 160.96 38.29 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.599 0.714 . . . . 0.0 111.14 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -29.25 24.06 Favored 'Trans proline' 0 N--CA 1.466 -0.125 0 C-N-CA 122.739 2.293 . . . . 0.0 112.335 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.93 -35.96 64.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.046 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.602 HG13 HG13 ' A' ' 50' ' ' ILE . 92.8 t -80.65 -37.77 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -50.28 -27.94 6.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -85.88 -28.39 24.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.574 ' HG ' HG21 ' A' ' 50' ' ' ILE . 12.1 tp -58.64 -21.87 55.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 31' ' ' ILE . . . -89.52 -53.06 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.1 ptm -50.27 -26.56 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -86.46 -31.04 21.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.629 ' HB3' HD21 ' A' ' 54' ' ' LEU . 63.6 m-80 -106.12 19.59 20.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 42.75 52.72 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.534 HD11 ' HG ' ' A' ' 54' ' ' LEU . 98.6 mt -108.19 135.47 46.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -85.51 95.42 9.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.603 HD22 HD13 ' A' ' 45' ' ' ILE . 8.0 mt -37.54 -55.48 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -46.88 -39.3 11.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LYS . 7.3 mm-40 -70.24 -37.12 74.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.413 ' CG1' ' HB3' ' A' ' 49' ' ' ASP . 20.4 t -63.89 124.1 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.1 t -74.12 95.59 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.87 146.85 48.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' GLY . 11.7 p -100.23 -32.61 10.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.948 0.404 . . . . 0.0 110.913 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -37.55 151.5 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.463 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' C ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -58.25 -43.68 87.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.747 0.308 . . . . 0.0 110.927 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.27 29.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.88 3.55 68.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.415 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -58.11 145.15 37.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.722 0.296 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.603 HD13 HD22 ' A' ' 33' ' ' LEU . 13.2 mt -97.65 117.19 41.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.9 mt -86.78 161.88 18.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -53.74 -38.6 64.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.22 -45.17 75.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.413 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 69.0 m-20 -51.41 -47.78 62.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.602 HG13 HG13 ' A' ' 22' ' ' VAL . 19.9 mm -52.81 -53.61 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.4 mt -61.73 -17.61 56.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -88.47 -21.15 24.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -85.61 -25.57 26.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.629 HD21 ' HB3' ' A' ' 29' ' ' ASN . 45.6 mt -82.96 -35.85 25.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 58' ' ' THR . 5.3 pt-20 -57.1 -25.33 58.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -81.93 -25.74 34.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' THR . 7.4 mm100 -72.51 -64.69 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 55' ' ' GLU . 13.1 p 34.08 38.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -157.76 -44.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.43 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -38.8 153.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.74 0.305 . . . . 0.0 111.049 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.9 mm -106.82 85.49 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.547 HD23 ' H ' ' A' ' 62' ' ' LEU . 1.6 pt? -101.29 150.79 37.47 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.651 0.739 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 152.02 69.45 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.763 2.309 . . . . 0.0 112.341 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -1.9 9.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -39.98 -47.23 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.18 -161.6 37.59 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 178.36 4.63 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.293 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.1 p -111.31 102.67 11.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 m -114.38 96.58 5.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.515 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -131.08 175.37 9.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.849 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -130.45 140.35 50.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.15 80.58 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 6' ' ' SER . 13.8 m -130.53 113.16 13.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 5' ' ' SER . 33.0 p -34.82 -45.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.04 104.57 1.95 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -144.09 175.49 10.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.746 0.308 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -125.27 92.48 3.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -173.85 123.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 12' ' ' LYS . 2.9 tp -57.76 140.15 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.14 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' N ' HG13 ' A' ' 11' ' ' ILE . 11.3 tptm -50.27 139.79 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.56 82.97 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.529 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -131.67 139.9 49.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.06 95.37 0.72 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -41.14 149.14 0.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -104.63 104.0 13.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.04 152.8 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.78 160.69 5.42 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.592 0.71 . . . . 0.0 111.136 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -40.9 4.68 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.706 2.27 . . . . 0.0 112.385 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.62 -31.63 71.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.0 t -83.79 -38.75 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -55.5 -20.5 13.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -88.57 -37.68 15.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.666 ' HG ' HG21 ' A' ' 50' ' ' ILE . 11.9 tp -49.37 -22.04 1.03 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.62 -44.18 9.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.6 ptm -61.68 -21.76 64.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -90.89 -23.96 20.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.521 ' HB3' HD21 ' A' ' 54' ' ' LEU . 59.2 m-80 -109.67 12.82 24.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 30' ' ' ASN . 2.7 t30 52.19 43.86 30.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.837 HG23 ' CE1' ' A' ' 53' ' ' TYR . 58.5 mt -100.35 139.67 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.4 mppt? -85.9 95.58 9.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 33' ' ' LEU . 10.0 mt -34.97 -56.31 0.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.4 t -49.59 -40.72 39.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' LYS . 5.9 mm-40 -69.31 -25.34 64.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.435 HG22 ' CD2' ' A' ' 53' ' ' TYR . 21.2 t -74.51 115.45 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.2 t -69.14 96.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.58 166.21 2.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' GLY . 1.4 t -122.66 -39.55 2.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.966 0.412 . . . . 0.0 110.843 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -36.88 154.8 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.515 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -56.61 10.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.749 0.309 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -83.88 37.43 0.6 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.97 -0.81 20.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -52.28 115.51 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.4 mt -69.97 130.35 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.208 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.8 mt -105.14 169.94 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -57.89 -40.72 80.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -52.63 -53.43 47.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -42.47 -48.26 5.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.666 HG21 ' HG ' ' A' ' 25' ' ' LEU . 8.1 mm -52.59 -56.02 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.0 mt -55.22 -19.67 8.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -91.52 -18.83 23.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.837 ' CE1' HG23 ' A' ' 31' ' ' ILE . 14.6 t80 -81.86 -33.59 30.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.608 ' O ' HG23 ' A' ' 58' ' ' THR . 10.4 mt -70.48 -37.1 74.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -66.8 -26.28 66.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -91.72 -37.97 12.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.434 ' OE1' HD23 ' A' ' 54' ' ' LEU . 6.8 pt20 -63.39 -30.74 71.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 54' ' ' LEU . 43.4 p -70.02 -37.35 75.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -105.1 55.61 0.56 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 61' ' ' ILE . . . -111.14 162.53 14.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.471 ' C ' ' O ' ' A' ' 60' ' ' ALA . 6.3 pt 32.54 43.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.64 144.13 93.08 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.607 0.717 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 159.57 52.95 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.688 2.259 . . . . 0.0 112.359 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -20.33 34.83 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.4 t -87.66 108.5 19.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 159.7 -90.1 0.11 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.544 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -35.02 13.29 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.704 2.27 . . . . 0.0 112.276 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.6 t -70.21 161.04 31.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.8 t -97.84 154.95 17.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m 61.89 42.23 10.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t 42.75 42.07 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.42 -157.77 7.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.517 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 p -128.56 162.37 27.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 m -84.7 159.72 20.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.41 177.95 20.33 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -146.88 114.46 6.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.787 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -137.31 146.69 44.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -135.67 129.96 33.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 12' ' ' LYS . 8.4 tp -98.88 150.74 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.06 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.456 ' N ' HG13 ' A' ' 11' ' ' ILE . 16.5 ttmt -116.73 123.89 48.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.27 143.29 4.18 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -79.11 -57.65 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.93 0.395 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' CD ' ' NH2' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -112.94 178.83 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.828 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.524 HG21 ' HB3' ' A' ' 33' ' ' LEU . 6.7 t -104.25 163.06 12.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.425 HD23 ' HB2' ' A' ' 44' ' ' ARG . 11.9 tp -81.32 102.0 10.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -158.05 140.48 14.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.18 160.77 0.83 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.565 0.698 . . . . 0.0 111.171 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -35.48 12.39 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.254 . . . . 0.0 112.312 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.44 -30.6 68.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.059 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.0 t -82.49 -38.45 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.481 ' NH2' ' CD ' ' A' ' 15' ' ' LYS . 53.3 mtp180 -53.91 -31.18 49.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -75.25 -43.16 53.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.47 HD22 ' HG3' ' A' ' 47' ' ' LYS . 12.4 tp -47.79 -19.41 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.55 -45.94 9.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.439 ' HG3' ' N ' ' A' ' 28' ' ' GLU . 3.7 ptp -56.41 -27.33 56.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 27' ' ' MET . 13.9 mm-40 -82.18 -34.6 28.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 30' ' ' ASN . 63.9 m-80 -101.61 12.94 36.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 6.3 p-10 45.41 41.45 6.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.781 HG23 ' CE1' ' A' ' 53' ' ' TYR . 55.8 mt -95.51 141.63 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.3 mppt? -86.13 102.69 14.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.913 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.524 ' HB3' HG21 ' A' ' 16' ' ' THR . 8.5 mt -45.09 -55.27 5.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.4 t -48.77 -35.75 15.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -77.26 -23.04 51.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 32' ' ' LYS . 60.6 t -73.55 121.97 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.1 t -70.18 101.86 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.75 155.53 44.71 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.453 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.7 t -117.29 -39.96 3.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.012 0.434 . . . . 0.0 110.888 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 44' ' ' ARG . . . -58.31 167.51 6.13 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 42' ' ' ASP . 14.5 tppt? -64.21 154.45 34.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.346 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 25.3 m-20 56.53 39.76 29.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.49 18.57 63.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 40' ' ' GLY . 37.0 ttm180 -66.01 112.08 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.816 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.5 mt -83.48 130.42 35.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.4 mt -99.27 175.25 5.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.961 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.47 ' HG3' HD22 ' A' ' 25' ' ' LEU . 67.9 tttt -66.62 -37.8 85.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.04 -28.11 67.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -62.85 -48.63 78.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.415 ' HB ' HD23 ' A' ' 25' ' ' LEU . 7.7 mm -52.54 -50.26 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.5 mt -61.79 -16.56 50.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -91.05 -28.93 17.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.781 ' CE1' HG23 ' A' ' 31' ' ' ILE . 3.7 t80 -74.18 -24.66 59.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 58' ' ' THR . 46.5 mt -76.95 -43.53 34.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 2.9 pt-20 -60.81 -26.5 67.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 55' ' ' GLU . 20.9 mtpp -81.01 -38.56 27.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -76.08 -34.13 59.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 54' ' ' LEU . 41.6 p -67.46 104.73 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.9 -13.81 1.14 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.45 -176.31 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.689 0.281 . . . . 0.0 111.196 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.5 pt -81.79 40.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mp -41.46 157.93 0.19 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 110.997 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 162.77 40.75 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.644 2.229 . . . . 0.0 112.368 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -4.78 14.74 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.732 2.288 . . . . 0.0 112.378 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.0 m -68.58 78.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.75 83.35 0.13 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -17.68 37.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t 64.87 52.78 1.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.2 p -140.87 105.34 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.557 -0.217 . . . . 0.0 112.557 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t 52.7 42.2 31.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 110.844 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m 54.06 42.22 31.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.33 107.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.466 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.2 p -95.11 -45.51 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.855 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -125.33 96.07 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.784 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.02 96.63 0.14 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -82.13 113.91 20.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -83.96 41.85 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -103.22 113.25 26.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.9 tp -91.48 -30.72 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.87 -51.12 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.93 106.98 3.02 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 14' ' ' ARG . 23.9 mtm105 -92.1 157.44 16.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.921 0.391 . . . . 0.0 110.907 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -49.2 149.67 1.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 m -80.07 145.86 32.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.163 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.5 tp -103.29 99.77 9.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.02 150.91 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.2 p -55.32 156.28 8.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.559 0.695 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -30.62 21.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.746 2.297 . . . . 0.0 112.313 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.65 -36.74 76.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.85 -40.22 38.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.517 ' HG2' HD11 ' A' ' 33' ' ' LEU . 63.2 mtp180 -52.83 -35.39 57.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 26' ' ' ALA . 24.1 ttt180 -67.77 -50.19 58.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 25' ' ' LEU . 11.8 tp -39.2 -25.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -81.64 -50.75 8.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.093 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 28' ' ' GLU . 4.5 ptp -51.74 -28.14 14.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 27' ' ' MET . 8.5 mt-10 -80.03 -36.73 35.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.848 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.74 ' HB3' HD21 ' A' ' 54' ' ' LEU . 63.2 m-80 -100.28 18.61 18.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m120 44.33 46.54 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.758 HD11 ' HG ' ' A' ' 54' ' ' LEU . 84.5 mt -99.93 137.19 28.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.179 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -86.24 94.08 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.517 HD11 ' HG2' ' A' ' 23' ' ' ARG . 11.4 mt -34.63 -59.58 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.7 t -45.65 -40.72 9.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 32' ' ' LYS . 80.6 mm-40 -69.67 -36.1 75.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.426 HG22 ' CD2' ' A' ' 53' ' ' TYR . 57.9 t -60.42 129.82 23.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.1 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.8 t -78.18 103.29 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.51 155.37 14.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 40' ' ' GLY . 7.8 t -116.94 -43.86 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.808 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -36.54 154.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.47 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -48.08 -55.82 9.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.74 0.305 . . . . 0.0 110.821 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -84.36 36.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.29 -0.77 15.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.431 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HE ' HD21 ' A' ' 46' ' ' LEU . 39.9 ttp180 -50.2 124.64 10.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 110.851 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.4 mt -79.27 120.51 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.472 HD21 ' HE ' ' A' ' 44' ' ' ARG . 28.5 mt -96.95 173.52 7.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -59.34 -42.93 92.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -52.48 -48.05 66.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -43.69 -51.48 7.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.6 mm -47.99 -45.54 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 48.4 mt -65.97 -22.05 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -83.39 -28.58 28.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.548 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 4.8 t80 -79.04 -20.19 49.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.758 ' HG ' HD11 ' A' ' 31' ' ' ILE . 66.2 mt -87.46 -46.4 9.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -54.19 -31.19 52.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -71.74 -39.96 69.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' THR . 6.3 mm100 -70.48 -64.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' GLN . 5.3 t 33.98 52.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -174.18 -44.32 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.513 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.49 179.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pt -93.74 104.11 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 pp -131.7 154.25 81.75 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.598 0.713 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 166.96 25.81 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.654 2.236 . . . . 0.0 112.386 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 115.38 4.07 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.2 m -123.71 174.6 7.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.96 145.55 15.75 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.458 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 133.84 26.61 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.701 2.268 . . . . 0.0 112.373 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 m -76.44 -49.22 17.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.4 m -92.94 122.84 35.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -162.7 135.67 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.879 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -166.93 177.21 6.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.65 115.06 0.34 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -138.85 145.33 39.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.925 0.393 . . . . 0.0 110.846 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.0 p -147.24 145.27 29.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.84 115.71 2.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.454 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -110.35 107.59 17.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.751 0.31 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.5 173.41 11.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -132.1 102.02 5.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.9 tp -106.76 141.74 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -129.62 160.06 34.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.88 163.97 6.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.557 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -96.84 77.78 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.918 0.39 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.22 125.68 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 t -131.51 162.22 30.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.09 96.92 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.16 125.78 3.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.045 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.37 161.03 0.22 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.623 0.725 . . . . 0.0 111.14 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.82 -32.13 18.9 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.91 -29.3 66.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.8 t -87.1 -34.33 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' HG2' HD11 ' A' ' 33' ' ' LEU . 30.5 mtp180 -57.93 -28.99 64.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -77.67 -36.18 51.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.451 HD23 ' CB ' ' A' ' 50' ' ' ILE . 10.3 tp -53.25 -24.31 11.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.485 ' HB1' ' O ' ' A' ' 31' ' ' ILE . . . -83.64 -54.39 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -52.9 -28.56 23.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -80.2 -36.6 34.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.666 ' HB3' HD21 ' A' ' 54' ' ' LEU . 64.1 m-80 -101.18 15.7 27.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 t30 50.33 45.21 26.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.605 HD11 ' HG ' ' A' ' 54' ' ' LEU . 74.1 mt -102.51 143.74 14.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -95.36 93.45 7.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.801 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 33' ' ' LEU . 7.9 mt -34.18 -59.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.3 t -44.44 -45.23 8.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' LYS . 57.3 mm-40 -69.27 -28.68 66.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.426 HG22 ' CD2' ' A' ' 53' ' ' TYR . 59.4 t -71.34 114.45 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.56 100.17 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.01 167.89 6.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 t -129.61 -42.8 1.28 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.921 0.391 . . . . 0.0 110.905 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.05 156.3 11.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.532 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -46.14 154.56 0.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.763 0.316 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 56.15 51.46 11.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.81 18.85 1.16 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.964 ' CZ ' HD23 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -57.86 149.58 22.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 110.833 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.2 mt -117.98 107.38 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.964 HD23 ' CZ ' ' A' ' 44' ' ' ARG . 6.0 mt -86.41 166.41 15.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -54.22 -38.09 65.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -55.28 -44.92 76.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -54.05 -36.98 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.797 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.451 ' CB ' HD23 ' A' ' 25' ' ' LEU . 24.8 mm -62.68 -45.33 99.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.7 mt -64.81 -18.96 65.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -87.36 -18.29 30.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.477 ' CE1' HG12 ' A' ' 31' ' ' ILE . 5.3 t80 -85.41 -31.57 22.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.666 HD21 ' HB3' ' A' ' 29' ' ' ASN . 31.5 mt -78.71 -39.02 37.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.618 ' O ' HG23 ' A' ' 58' ' ' THR . 4.1 pt-20 -57.23 -25.87 59.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -79.54 -25.2 41.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' THR . 14.5 mm100 -71.32 -64.68 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 55' ' ' GLU . 13.7 p 33.96 41.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -155.32 -38.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.552 ' HB3' HD12 ' A' ' 62' ' ' LEU . . . -50.84 -176.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 111.072 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 62' ' ' LEU . 37.0 pt -91.12 38.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.087 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.552 HD12 ' HB3' ' A' ' 60' ' ' ALA . 5.9 mp -37.42 144.23 0.33 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.589 0.709 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.88 164.04 36.12 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.622 2.215 . . . . 0.0 112.363 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 85.58 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.768 2.312 . . . . 0.0 112.352 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.0 t -140.59 172.18 13.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.6 78.87 0.24 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 1.28 4.57 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.738 2.292 . . . . 0.0 112.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.9 m -66.08 118.36 9.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.8 p -145.19 179.92 7.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.434 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 52.6 tp . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.03 150.14 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.48 160.67 1.26 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 111.157 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -43.57 2.59 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.674 2.25 . . . . 0.0 112.369 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.93 -29.32 70.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.5 t -83.86 -37.22 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -54.81 -33.99 62.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 26' ' ' ALA . 7.5 ttt-85 -77.41 -43.45 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.453 ' HG ' HG21 ' A' ' 50' ' ' ILE . 11.4 tp -42.79 -23.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -86.64 -55.07 4.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.098 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -51.14 -23.94 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -84.18 -35.12 23.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -100.79 18.89 18.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 47.39 43.7 15.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.531 HG23 ' CE1' ' A' ' 53' ' ' TYR . 60.7 mt -98.34 135.51 32.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 35' ' ' GLU . 10.1 mptt -82.94 91.76 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.948 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.1 mt -34.02 -58.62 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -45.31 -43.22 10.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 32' ' ' LYS . 77.8 mm-40 -68.78 -33.58 74.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.641 HG22 ' CD2' ' A' ' 53' ' ' TYR . 43.2 t -64.65 101.0 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 37' ' ' VAL . 4.6 p -58.21 101.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.151 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.524 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.786 0.327 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.9 mt -78.03 112.0 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.8 mt -91.32 173.42 7.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -57.07 -36.46 70.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.4 -41.87 90.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -51.03 -43.09 60.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.453 HG21 ' HG ' ' A' ' 25' ' ' LEU . 22.4 mm -58.34 -54.99 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.68 -18.71 55.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -93.35 -17.8 23.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.641 ' CD2' HG22 ' A' ' 36' ' ' VAL . 5.5 t80 -80.79 -35.86 32.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.515 ' HG ' HD11 ' A' ' 31' ' ' ILE . 52.6 mt -71.93 -42.45 66.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.974 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 tp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.806 0.336 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.04 149.32 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.31 160.61 2.4 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.539 0.685 . . . . 0.0 111.204 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.73 3.15 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.76 2.307 . . . . 0.0 112.309 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.06 -32.68 73.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.3 t -80.29 -37.71 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.186 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -56.01 -24.04 36.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -89.33 -20.29 24.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.444 ' HG ' HG21 ' A' ' 50' ' ' ILE . 13.3 tp -64.17 -22.14 66.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.25 -46.71 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ptm -55.89 -23.51 31.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -86.9 -30.07 21.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -106.98 16.2 24.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 m120 49.14 49.73 19.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.583 HD11 ' HG ' ' A' ' 54' ' ' LEU . 71.1 mt -104.06 144.04 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 35' ' ' GLU . 2.1 mptt -90.74 96.82 10.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 33' ' ' LEU . 10.7 mt -36.45 -57.51 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.973 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 t -50.92 -37.09 41.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' LYS . 81.1 mm-40 -73.74 -23.4 59.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.0 t -73.59 121.71 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 67.3 t -71.02 99.3 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.425 ' HE ' HD21 ' A' ' 46' ' ' LEU . 55.8 ttp180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.767 0.318 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.4 mt -70.43 109.59 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.425 HD21 ' HE ' ' A' ' 44' ' ' ARG . 28.1 mt -81.39 176.95 9.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -63.93 -39.44 94.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -57.8 -47.4 82.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -43.07 -45.16 5.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.444 HG21 ' HG ' ' A' ' 25' ' ' LEU . 9.7 mm -59.3 -52.62 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.7 mt -58.86 -15.82 14.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -96.87 -13.67 22.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.501 ' CE1' HG23 ' A' ' 31' ' ' ILE . 3.2 t80 -85.58 -29.08 24.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.583 ' HG ' HD11 ' A' ' 31' ' ' ILE . 19.7 mt -78.75 -44.45 23.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.884 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.668 HD22 ' HB2' ' A' ' 44' ' ' ARG . 3.5 tt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.839 0.352 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.83 144.86 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.065 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.22 160.64 4.67 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.603 0.716 . . . . 0.0 111.13 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.8 -41.13 4.48 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.26 -25.15 67.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.1 t -89.52 -33.89 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.431 ' HA ' HD11 ' A' ' 33' ' ' LEU . 32.2 mtp85 -61.53 -21.68 64.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.446 ' NH2' ' OE2' ' A' ' 28' ' ' GLU . 9.5 ttt85 -88.74 -26.09 21.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.553 ' HG ' HG21 ' A' ' 50' ' ' ILE . 11.5 tp -63.94 -21.18 66.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.06 -50.78 5.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.5 ptp -52.82 -28.67 23.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.446 ' OE2' ' NH2' ' A' ' 24' ' ' ARG . 5.4 mm-40 -78.99 -32.09 45.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.486 ' HB3' HD21 ' A' ' 54' ' ' LEU . 69.7 m-80 -105.09 15.83 26.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 m120 51.51 39.92 25.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.729 HG23 ' CE1' ' A' ' 53' ' ' TYR . 92.5 mt -96.23 143.85 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -94.1 93.19 7.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.942 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 32' ' ' LYS . 9.8 mt -34.05 -59.02 0.44 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.0 t -47.93 -41.75 25.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 32' ' ' LYS . 16.0 mm-40 -68.68 -26.09 65.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.759 HG22 ' CD2' ' A' ' 53' ' ' TYR . 54.5 t -73.33 135.28 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.9 t -77.57 99.26 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.493 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.668 ' HB2' HD22 ' A' ' 17' ' ' LEU . 34.6 ttm-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.823 0.344 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.7 mt -86.26 122.31 38.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.9 mt -93.64 -176.07 3.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -70.51 -39.45 74.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -55.82 -51.25 68.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.413 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 81.6 m-20 -40.29 -45.14 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.553 HG21 ' HG ' ' A' ' 25' ' ' LEU . 6.2 mm -54.94 -51.31 54.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.3 mt -59.87 -20.2 55.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -90.81 -21.52 21.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.759 ' CD2' HG22 ' A' ' 36' ' ' VAL . 12.6 t80 -80.9 -21.77 40.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.509 ' HG ' HD11 ' A' ' 31' ' ' ILE . 19.9 mt -82.33 -36.09 27.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.889 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.821 0.343 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.57 136.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.055 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.27 160.63 0.35 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.538 0.685 . . . . 0.0 111.203 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -40.86 4.84 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.89 -27.37 69.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.102 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.8 t -86.81 -34.85 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.551 ' HA ' HD11 ' A' ' 33' ' ' LEU . 69.3 mtp180 -57.74 -24.23 55.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -85.78 -41.74 14.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.42 HD23 ' CB ' ' A' ' 50' ' ' ILE . 10.2 tp -44.75 -26.03 0.35 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.569 ' HB1' ' O ' ' A' ' 31' ' ' ILE . . . -84.35 -48.16 9.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.04 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.0 ptm -57.6 -29.0 64.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -82.29 -29.29 31.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -108.31 17.43 22.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 46.55 50.67 12.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.651 HG23 ' CE1' ' A' ' 53' ' ' TYR . 62.7 mt -109.49 140.98 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 33' ' ' LEU . 4.5 mptt -90.76 92.74 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.551 HD11 ' HA ' ' A' ' 23' ' ' ARG . 8.6 mt -34.21 -59.41 0.44 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 t -43.08 -43.01 4.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.796 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' LYS . 77.3 mm-40 -68.61 -34.32 75.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.467 HG12 ' HB3' ' A' ' 49' ' ' ASP . 58.4 t -61.36 130.61 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.092 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.3 t -72.39 102.56 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.771 0.319 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.8 mt -78.64 116.13 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 mt -86.53 168.87 13.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -58.59 -43.49 89.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -50.79 -46.89 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.467 ' HB3' HG12 ' A' ' 36' ' ' VAL . 66.4 m-20 -46.4 -39.92 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.42 ' CB ' HD23 ' A' ' 25' ' ' LEU . 27.7 mm -61.32 -46.33 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.9 mt -66.13 -17.69 64.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -93.13 -22.64 18.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.651 ' CE1' HG23 ' A' ' 31' ' ' ILE . 1.5 t80 -79.05 -20.48 48.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.3 mt -84.48 -47.81 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.022 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.875 179.885 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.77 0.319 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.73 156.81 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.77 160.68 13.97 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.536 0.684 . . . . 0.0 111.2 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -39.78 6.1 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.357 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.45 -32.49 74.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.4 t -79.85 -39.16 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -52.46 -27.98 18.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -80.86 -38.85 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.562 HD23 ' HB ' ' A' ' 50' ' ' ILE . 12.2 tp -48.61 -19.06 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 30' ' ' ASN . . . -92.19 -49.72 6.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.058 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.8 ptp -55.66 -30.59 61.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -79.74 -33.53 40.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -104.18 15.27 28.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 26' ' ' ALA . 36.7 m-20 47.19 48.46 15.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.681 HD11 ' HG ' ' A' ' 54' ' ' LEU . 81.2 mt -100.77 142.78 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -89.75 92.76 9.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.2 mt -34.2 -59.59 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -45.12 -41.56 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 32' ' ' LYS . 8.1 mm-40 -69.05 -37.05 78.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.3 t -55.81 121.8 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.1 t -66.84 98.3 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.753 0.311 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 59.5 mt -82.97 124.38 39.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.8 mt -95.57 151.39 19.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.7 -43.18 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.866 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.6 mp0 -50.96 -60.21 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.5 m-20 -34.67 -47.34 0.33 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.562 ' HB ' HD23 ' A' ' 25' ' ' LEU . 9.2 mm -57.9 -63.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 mt -54.99 -24.74 25.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -86.03 -22.14 27.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 53' ' ' TYR . 3.9 t80 -79.21 -26.34 42.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.681 ' HG ' HD11 ' A' ' 31' ' ' ILE . 39.2 mt -80.11 -47.67 14.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.819 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.587 HD22 ' HB2' ' A' ' 44' ' ' ARG . 2.2 tt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.784 0.326 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -173.84 154.82 2.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.94 160.54 10.8 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.585 0.707 . . . . 0.0 111.144 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.63 -42.48 3.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.725 2.283 . . . . 0.0 112.369 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.17 -32.72 72.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.9 t -79.18 -39.83 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.447 ' HG2' HD11 ' A' ' 33' ' ' LEU . 30.9 mtp180 -53.15 -40.03 63.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' ALA . 11.7 ttt-85 -66.4 -48.08 71.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.506 HD23 ' HB ' ' A' ' 50' ' ' ILE . 10.5 tp -41.96 -23.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -84.77 -52.16 6.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.047 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.0 ptp -54.88 -26.5 36.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -82.41 -37.94 24.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.572 ' HB3' HD21 ' A' ' 54' ' ' LEU . 56.3 m-80 -98.39 15.52 24.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.3 m120 49.32 44.88 23.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.725 HG23 ' CE1' ' A' ' 53' ' ' TYR . 84.3 mt -98.85 138.82 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.058 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 35' ' ' GLU . 9.6 mptt -86.92 93.63 9.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 33' ' ' LEU . 9.9 mt -34.22 -58.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.2 t -47.05 -41.47 16.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' LYS . 16.4 mm-40 -68.5 -29.66 68.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.604 HG22 ' CD2' ' A' ' 53' ' ' TYR . 24.6 t -72.19 96.57 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -54.77 96.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.587 ' HB2' HD22 ' A' ' 17' ' ' LEU . 42.9 ttp180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.774 0.321 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.8 mt -89.69 114.91 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.1 mt -91.05 170.21 10.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.945 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -57.96 -39.15 77.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -59.69 -39.98 86.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.426 ' CG ' HG12 ' A' ' 36' ' ' VAL . 15.8 t0 -53.45 -43.63 68.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.506 ' HB ' HD23 ' A' ' 25' ' ' LEU . 14.1 mm -59.82 -47.28 92.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.8 mt -66.84 -18.47 65.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -94.25 -18.62 21.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.725 ' CE1' HG23 ' A' ' 31' ' ' ILE . 3.4 t80 -80.8 -29.03 36.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 29' ' ' ASN . 16.6 mt -78.77 -46.5 18.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.3 tp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.96 164.97 3.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.49 160.71 70.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.522 0.677 . . . . 0.0 111.127 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -40.03 5.81 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.71 -31.54 72.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.4 t -81.03 -37.81 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -54.73 -27.34 40.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 26' ' ' ALA . 9.3 ttt180 -80.21 -44.99 18.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.615 ' HG ' HG21 ' A' ' 50' ' ' ILE . 11.1 tp -42.15 -25.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -86.5 -51.76 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -54.25 -26.46 29.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -83.58 -31.21 26.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.461 ' HB3' HD21 ' A' ' 54' ' ' LEU . 57.0 m-80 -105.93 18.02 22.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 48.71 48.93 19.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.496 ' CG2' ' CG2' ' A' ' 36' ' ' VAL . 61.6 mt -101.12 142.07 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 35' ' ' GLU . 6.4 mptt -90.8 92.69 8.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 33' ' ' LEU . 8.8 mt -35.29 -45.15 0.3 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.0 t -57.23 -44.16 83.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 32' ' ' LYS . 5.6 mm-40 -69.19 -34.59 75.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.752 HG12 ' OD2' ' A' ' 49' ' ' ASP . 13.9 t -63.8 102.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 81.1 t -61.2 97.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.6 ttm-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.765 0.317 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.486 HG23 ' OD2' ' A' ' 49' ' ' ASP . 19.4 mt -66.08 117.9 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.2 mt -92.24 167.0 12.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.1 tttt -54.46 -42.6 70.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -52.85 -44.69 66.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.752 ' OD2' HG12 ' A' ' 36' ' ' VAL . 12.2 t0 -48.88 -44.48 40.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.615 HG21 ' HG ' ' A' ' 25' ' ' LEU . 17.6 mm -55.92 -50.99 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.51 -21.14 65.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.979 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -87.62 -19.14 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.596 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 2.3 t80 -86.76 -19.57 28.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 29' ' ' ASN . 12.1 mt -90.2 -41.23 11.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.8 0.334 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.04 149.92 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.29 160.87 28.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.703 . . . . 0.0 111.114 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -36.18 11.08 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.329 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.31 -37.2 84.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.086 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.647 HG13 HG13 ' A' ' 50' ' ' ILE . 54.0 t -76.34 -40.02 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.168 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.3 mtp85 -48.92 -32.38 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -79.28 -40.76 29.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.525 HD23 ' HB ' ' A' ' 50' ' ' ILE . 12.1 tp -49.14 -19.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.42 -51.11 5.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.4 ptp -54.91 -32.6 61.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -78.07 -34.81 50.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.933 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.508 ' HB3' HD21 ' A' ' 54' ' ' LEU . 66.1 m-80 -102.21 19.06 19.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.7 m120 44.16 49.62 7.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.549 HD11 ' HG ' ' A' ' 54' ' ' LEU . 81.3 mt -104.08 139.53 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.483 ' HB2' ' CG ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -90.11 95.46 10.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 33' ' ' LEU . 8.7 mt -35.44 -54.34 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 t -49.76 -41.32 43.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.483 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 7.7 mm-40 -69.65 -29.3 66.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.613 HG22 ' CD2' ' A' ' 53' ' ' TYR . 44.7 t -70.88 126.97 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.4 t -72.19 103.51 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.791 0.329 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.3 mt -92.28 143.28 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.5 mt -110.6 -177.83 3.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -68.56 -41.34 79.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -54.55 -47.6 73.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -47.23 -49.31 23.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.647 HG13 HG13 ' A' ' 22' ' ' VAL . 7.1 mm -54.26 -45.14 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.1 mt -66.79 -18.86 65.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -94.64 -19.13 20.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.613 ' CD2' HG22 ' A' ' 36' ' ' VAL . 1.2 t80 -80.95 -26.4 36.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.549 ' HG ' HD11 ' A' ' 31' ' ' ILE . 36.6 mt -79.16 -47.87 15.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.827 0.346 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.48 133.68 2.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.991 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.81 160.77 0.23 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.527 0.68 . . . . 0.0 111.171 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -39.36 6.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.646 2.231 . . . . 0.0 112.303 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.61 -27.34 68.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.1 t -85.54 -34.98 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.571 ' HA ' HD11 ' A' ' 33' ' ' LEU . 20.0 mtp85 -57.27 -23.3 47.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -86.75 -36.77 18.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.529 ' HG ' HG21 ' A' ' 50' ' ' ILE . 12.2 tp -50.83 -22.91 2.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.523 ' HB1' ' O ' ' A' ' 31' ' ' ILE . . . -87.17 -53.43 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -54.7 -22.11 12.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -90.94 -21.14 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.5 ' HB3' HD21 ' A' ' 54' ' ' LEU . 50.3 m-80 -114.73 14.75 17.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 51.47 51.52 16.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.766 HG23 ' CE1' ' A' ' 53' ' ' TYR . 25.9 mt -115.32 141.89 30.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.438 ' HB2' ' CG ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -94.38 95.63 9.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.83 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' A' ' 23' ' ' ARG . 9.2 mt -37.49 -59.68 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.1 t -43.89 -37.68 2.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 5.1 mm-40 -71.15 -32.12 68.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.659 HG22 ' CD2' ' A' ' 53' ' ' TYR . 21.4 t -70.32 119.2 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.6 t -69.33 100.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.563 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.536 ' O ' HD12 ' A' ' 46' ' ' LEU . 24.0 ttm180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.742 0.306 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.2 mt -67.04 112.04 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 44' ' ' ARG . 6.1 mp -80.05 152.24 29.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -45.54 -40.51 8.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -55.93 -41.76 75.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -49.46 -39.89 35.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.529 HG21 ' HG ' ' A' ' 25' ' ' LEU . 16.0 mm -60.64 -47.7 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.3 mt -66.92 -21.4 65.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -88.85 -24.62 22.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.766 ' CE1' HG23 ' A' ' 31' ' ' ILE . 1.7 t80 -80.26 -21.61 42.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.668 ' CD2' HD11 ' A' ' 31' ' ' ILE . 49.2 mt -78.96 -43.7 24.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 tp . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.785 0.326 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.405 ' HB2' ' HB ' ' A' ' 45' ' ' ILE . . . -174.28 157.24 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.68 160.77 24.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 111.158 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -37.69 8.65 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -32.75 74.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.1 t -79.72 -39.46 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 7.1 mtp-105 -49.71 -26.63 3.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -90.14 -24.49 21.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.575 ' HG ' HG21 ' A' ' 50' ' ' ILE . 11.4 tp -63.25 -21.0 65.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.05 -42.03 9.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -61.64 -22.51 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -88.29 -30.1 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.461 ' HB3' HD21 ' A' ' 54' ' ' LEU . 64.8 m-80 -102.89 10.66 38.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.1 t30 51.88 45.56 28.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.636 HG23 ' CE1' ' A' ' 53' ' ' TYR . 93.4 mt -102.34 138.03 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.472 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -85.53 100.35 11.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.808 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.658 HD22 HD13 ' A' ' 45' ' ' ILE . 11.1 mt -43.38 -50.26 6.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -52.87 -32.04 42.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.458 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 14.1 mm-40 -82.86 -18.45 40.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.898 HG12 ' OD2' ' A' ' 49' ' ' ASP . 17.8 t -86.18 107.39 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.158 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.4 t -66.85 102.31 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.51 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.803 0.335 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.658 HD13 HD22 ' A' ' 33' ' ' LEU . 17.3 mt -80.64 109.31 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 mt -80.03 -176.02 5.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.5 tttt -70.92 -43.49 68.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -53.44 -46.83 70.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.898 ' OD2' HG12 ' A' ' 36' ' ' VAL . 13.8 t0 -39.55 -52.75 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.575 HG21 ' HG ' ' A' ' 25' ' ' LEU . 15.9 mm -52.59 -57.86 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.5 mt -54.03 -18.68 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -93.59 -19.72 20.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.844 ' CD2' HG22 ' A' ' 36' ' ' VAL . 8.4 t80 -82.14 -27.31 32.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 29' ' ' ASN . 26.9 mt -75.84 -35.17 60.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.964 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.904 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.407 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.697 0.284 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.0 155.21 1.96 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.078 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.4 160.61 23.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.546 0.688 . . . . 0.0 111.119 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -40.56 5.19 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.733 2.289 . . . . 0.0 112.343 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.44 -37.24 82.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.3 t -77.43 -39.78 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -52.48 -33.59 45.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 26' ' ' ALA . 14.3 ttm180 -73.92 -48.42 30.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 24' ' ' ARG . 15.1 tp -36.22 -30.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -84.85 -45.7 12.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.025 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' ARG . 2.4 ptm -56.76 -21.61 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.811 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -92.88 -23.34 18.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.477 ' HB3' HD21 ' A' ' 54' ' ' LEU . 35.9 m-80 -109.73 14.26 23.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 m120 48.54 53.27 12.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.599 HD11 HD21 ' A' ' 54' ' ' LEU . 69.1 mt -109.09 142.65 21.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.478 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -89.34 92.84 9.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.8 mt -34.15 -58.07 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.6 t -44.93 -44.03 9.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.817 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' LYS . 33.5 mm-40 -68.9 -29.95 68.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -69.66 97.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 37' ' ' VAL . 7.1 p -54.8 104.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.54 179.928 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.817 0.341 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.1 mt -73.53 122.38 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 47' ' ' LYS . 21.3 mt -100.33 150.19 22.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 46' ' ' LEU . 28.7 tttm -34.83 -46.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 49' ' ' ASP . 1.8 mp0 -50.2 -60.98 2.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 48' ' ' GLU . 23.0 m-20 -34.41 -40.73 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.3 mm -59.31 -50.74 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' GLU . 36.0 mt -60.8 -18.27 54.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.93 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -89.14 -18.71 26.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.494 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 7.7 t80 -87.67 -21.43 25.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.599 HD21 HD11 ' A' ' 31' ' ' ILE . 9.7 mt -87.92 -40.24 14.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.917 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.561 ' HB2' ' HB ' ' A' ' 45' ' ' ILE . . . -173.53 138.99 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -42.13 160.64 0.17 Allowed Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.562 0.696 . . . . 0.0 111.108 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 -39.24 6.93 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.656 2.237 . . . . 0.0 112.377 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.52 -30.25 70.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.056 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.5 t -79.87 -36.86 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -56.25 -26.5 51.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -84.73 -39.67 18.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.494 HD23 ' CB ' ' A' ' 50' ' ' ILE . 13.0 tp -46.87 -23.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.54 -55.38 4.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ptm -49.35 -33.38 13.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -76.76 -27.71 55.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.645 ' HB3' HD21 ' A' ' 54' ' ' LEU . 59.6 m-80 -110.32 19.33 18.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 45.23 42.99 7.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.779 HG23 ' CE1' ' A' ' 53' ' ' TYR . 77.8 mt -97.1 142.15 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HB2' ' CG ' ' A' ' 35' ' ' GLU . 7.0 mptt -90.64 98.13 11.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 33' ' ' LEU . 11.3 mt -40.76 -56.37 2.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.1 t -48.23 -33.43 8.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.46 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 70.4 mm-40 -75.86 -30.18 58.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.946 HG12 ' OD2' ' A' ' 49' ' ' ASP . 13.6 t -73.57 98.01 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.108 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 37' ' ' VAL . 6.2 p -62.03 100.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.751 0.31 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.561 ' HB ' ' HB2' ' A' ' 18' ' ' ALA . 46.9 mt -82.71 126.8 40.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.76 HD22 ' H ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -99.45 144.89 28.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 46' ' ' LEU . 85.1 tttt -35.65 -39.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -53.32 -53.84 45.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.946 ' OD2' HG12 ' A' ' 36' ' ' VAL . 11.9 t0 -42.01 -46.83 4.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.494 ' CB ' HD23 ' A' ' 25' ' ' LEU . 17.5 mm -53.18 -47.1 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.9 mt -65.02 -18.38 65.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -89.89 -17.68 27.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.779 ' CE1' HG23 ' A' ' 31' ' ' ILE . 2.9 t80 -86.8 -24.41 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.645 HD21 ' HB3' ' A' ' 29' ' ' ASN . 9.6 mt -84.67 -43.53 14.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.831 0.348 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.06 159.57 2.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.064 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.47 160.7 23.2 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.601 0.715 . . . . 0.0 111.144 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.64 -38.46 8.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.631 2.221 . . . . 0.0 112.385 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.62 -32.4 73.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -80.12 -38.94 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.159 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -53.44 -25.97 18.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.799 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' ALA . 3.8 ttt180 -80.29 -48.24 13.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.651 HD23 ' HB ' ' A' ' 50' ' ' ILE . 12.8 tp -42.34 -23.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -86.01 -52.89 5.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.028 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.8 ptp -54.6 -28.35 45.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.86 -34.91 57.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.528 ' HB3' HD21 ' A' ' 54' ' ' LEU . 62.1 m-80 -100.65 13.48 34.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 50.47 42.24 26.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.638 HD11 ' HG ' ' A' ' 54' ' ' LEU . 97.4 mt -97.92 135.12 33.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 35' ' ' GLU . 9.0 mptt -78.93 92.53 4.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.4 mt -34.43 -57.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 t -46.25 -41.85 13.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.801 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' LYS . 76.1 mm-40 -68.42 -27.29 66.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.666 HG12 ' OD2' ' A' ' 49' ' ' ASP . 21.4 t -75.5 103.31 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 37' ' ' VAL . 7.1 p -62.07 101.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.506 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.759 0.314 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.6 mt -68.11 115.32 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.7 mt -87.6 170.1 11.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.489 ' HG3' HD22 ' A' ' 25' ' ' LEU . 23.2 tttm -62.99 -37.73 88.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.94 -33.72 72.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.666 ' OD2' HG12 ' A' ' 36' ' ' VAL . 15.9 t0 -58.75 -40.22 83.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.651 ' HB ' HD23 ' A' ' 25' ' ' LEU . 4.1 mm -61.5 -48.39 89.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.7 mt -66.67 -17.38 64.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.98 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -91.17 -18.52 24.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.549 ' CD2' HG22 ' A' ' 36' ' ' VAL . 3.2 t80 -84.25 -26.28 28.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.638 ' HG ' HD11 ' A' ' 31' ' ' ILE . 37.4 mt -82.49 -39.11 22.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.926 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 tp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.786 0.327 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.07 161.56 2.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.55 160.83 70.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.585 0.707 . . . . 0.0 111.131 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -39.7 6.1 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.719 2.28 . . . . 0.0 112.364 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.0 -36.23 80.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.2 t -79.05 -37.52 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 9.8 mtp-105 -54.04 -30.06 46.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 26' ' ' ALA . 32.0 ttt180 -77.12 -46.99 21.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.503 HD23 ' HB ' ' A' ' 50' ' ' ILE . 14.4 tp -41.23 -24.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -88.15 -41.92 12.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' ARG . 2.5 ptt? -62.09 -21.76 65.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -87.32 -29.93 21.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -106.44 16.59 24.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 48.19 44.7 19.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.436 HD11 ' HG ' ' A' ' 54' ' ' LEU . 70.5 mt -100.47 134.38 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -82.64 93.76 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.829 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.5 mt -34.11 -59.61 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -42.95 -42.68 3.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' LYS . 73.6 mm-40 -70.16 -31.84 69.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 33' ' ' LEU . 54.3 t -63.67 107.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.069 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.0 t -54.66 102.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.165 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.52 179.952 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.823 0.344 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.9 mt -78.61 118.19 25.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.6 mt -94.89 171.17 8.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 tttp -56.28 -41.92 76.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.22 -48.78 73.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.43 ' HB3' HG12 ' A' ' 36' ' ' VAL . 75.0 m-20 -40.57 -52.05 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.503 ' HB ' HD23 ' A' ' 25' ' ' LEU . 10.2 mm -52.22 -57.92 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.196 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.0 mt -56.65 -18.08 10.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.045 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -90.29 -22.97 21.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.961 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.543 ' C ' ' CD1' ' A' ' 53' ' ' TYR . 1.4 t80 -81.54 -25.79 35.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.436 ' HG ' HD11 ' A' ' 31' ' ' ILE . 33.6 mt -79.03 -45.08 20.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.884 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.888 0.375 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.84 123.1 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.071 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -39.71 160.87 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.596 0.713 . . . . 0.0 111.117 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 -36.03 11.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.72 2.28 . . . . 0.0 112.322 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -28.87 65.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.196 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.2 t -84.29 -36.36 11.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -56.67 -19.22 15.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -91.16 -40.54 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.3 tp -50.93 -19.79 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.03 -53.71 4.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.1 ptp -51.85 -29.1 18.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -82.14 -23.69 35.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.414 ' HB3' HD21 ' A' ' 54' ' ' LEU . 64.1 m-80 -113.9 16.75 18.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 45.48 51.51 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.595 HG23 ' CE1' ' A' ' 53' ' ' TYR . 68.7 mt -105.04 138.64 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -88.94 98.01 11.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.948 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.863 HD22 HD13 ' A' ' 45' ' ' ILE . 9.3 mt -42.21 -55.86 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.8 t -44.33 -33.07 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -77.41 -33.19 55.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.507 HG22 ' CD2' ' A' ' 53' ' ' TYR . 18.6 t -70.71 127.51 32.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.2 t -74.96 97.89 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.408 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.516 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.732 0.301 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.863 HD13 HD22 ' A' ' 33' ' ' LEU . 9.7 mt -76.15 136.04 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.2 mt -101.69 167.9 9.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -59.34 -37.49 77.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -57.78 -44.94 86.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.483 ' HB3' HG12 ' A' ' 36' ' ' VAL . 87.2 m-20 -49.56 -46.69 49.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.8 mm -53.17 -52.46 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.3 mt -59.04 -16.73 20.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -93.18 -13.67 28.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.595 ' CE1' HG23 ' A' ' 31' ' ' ILE . 7.2 t80 -89.16 -28.32 20.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.543 ' HG ' HD11 ' A' ' 31' ' ' ILE . 11.1 mt -80.52 -35.43 34.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.87 0.367 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.15 143.04 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.47 160.96 38.29 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.599 0.714 . . . . 0.0 111.14 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -29.25 24.06 Favored 'Trans proline' 0 N--CA 1.466 -0.125 0 C-N-CA 122.739 2.293 . . . . 0.0 112.335 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.93 -35.96 64.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.046 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.602 HG13 HG13 ' A' ' 50' ' ' ILE . 92.8 t -80.65 -37.77 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -50.28 -27.94 6.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -85.88 -28.39 24.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.574 ' HG ' HG21 ' A' ' 50' ' ' ILE . 12.1 tp -58.64 -21.87 55.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 31' ' ' ILE . . . -89.52 -53.06 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.1 ptm -50.27 -26.56 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -86.46 -31.04 21.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.629 ' HB3' HD21 ' A' ' 54' ' ' LEU . 63.6 m-80 -106.12 19.59 20.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 42.75 52.72 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.534 HD11 ' HG ' ' A' ' 54' ' ' LEU . 98.6 mt -108.19 135.47 46.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -85.51 95.42 9.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.603 HD22 HD13 ' A' ' 45' ' ' ILE . 8.0 mt -37.54 -55.48 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -46.88 -39.3 11.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LYS . 7.3 mm-40 -70.24 -37.12 74.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.413 ' CG1' ' HB3' ' A' ' 49' ' ' ASP . 20.4 t -63.89 124.1 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.1 t -74.12 95.59 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.502 179.953 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.722 0.296 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.603 HD13 HD22 ' A' ' 33' ' ' LEU . 13.2 mt -97.65 117.19 41.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.9 mt -86.78 161.88 18.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -53.74 -38.6 64.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.22 -45.17 75.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.413 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 69.0 m-20 -51.41 -47.78 62.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.602 HG13 HG13 ' A' ' 22' ' ' VAL . 19.9 mm -52.81 -53.61 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.4 mt -61.73 -17.61 56.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -88.47 -21.15 24.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -85.61 -25.57 26.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.629 HD21 ' HB3' ' A' ' 29' ' ' ASN . 45.6 mt -82.96 -35.85 25.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.918 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.04 152.8 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.78 160.69 5.42 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.592 0.71 . . . . 0.0 111.136 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -40.9 4.68 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.706 2.27 . . . . 0.0 112.385 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.62 -31.63 71.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.0 t -83.79 -38.75 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -55.5 -20.5 13.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -88.57 -37.68 15.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.666 ' HG ' HG21 ' A' ' 50' ' ' ILE . 11.9 tp -49.37 -22.04 1.03 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.62 -44.18 9.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.6 ptm -61.68 -21.76 64.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -90.89 -23.96 20.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.521 ' HB3' HD21 ' A' ' 54' ' ' LEU . 59.2 m-80 -109.67 12.82 24.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 52.19 43.86 30.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.837 HG23 ' CE1' ' A' ' 53' ' ' TYR . 58.5 mt -100.35 139.67 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.4 mppt? -85.9 95.58 9.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 33' ' ' LEU . 10.0 mt -34.97 -56.31 0.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.4 t -49.59 -40.72 39.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' LYS . 5.9 mm-40 -69.31 -25.34 64.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.435 HG22 ' CD2' ' A' ' 53' ' ' TYR . 21.2 t -74.51 115.45 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.2 t -69.14 96.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.496 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.4 mt -69.97 130.35 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.208 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.8 mt -105.14 169.94 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -57.89 -40.72 80.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -52.63 -53.43 47.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -42.47 -48.26 5.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.666 HG21 ' HG ' ' A' ' 25' ' ' LEU . 8.1 mm -52.59 -56.02 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.0 mt -55.22 -19.67 8.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -91.52 -18.83 23.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.837 ' CE1' HG23 ' A' ' 31' ' ' ILE . 14.6 t80 -81.86 -33.59 30.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.522 ' HG ' HD11 ' A' ' 31' ' ' ILE . 10.4 mt -70.48 -37.1 74.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.425 HD23 ' HB2' ' A' ' 44' ' ' ARG . 11.9 tp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.817 0.341 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -158.05 140.48 14.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.18 160.77 0.83 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.565 0.698 . . . . 0.0 111.171 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -35.48 12.39 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.254 . . . . 0.0 112.312 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.44 -30.6 68.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.059 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.0 t -82.49 -38.45 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -53.91 -31.18 49.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -75.25 -43.16 53.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.47 HD22 ' HG3' ' A' ' 47' ' ' LYS . 12.4 tp -47.79 -19.41 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.55 -45.94 9.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.439 ' HG3' ' N ' ' A' ' 28' ' ' GLU . 3.7 ptp -56.41 -27.33 56.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 27' ' ' MET . 13.9 mm-40 -82.18 -34.6 28.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 30' ' ' ASN . 63.9 m-80 -101.61 12.94 36.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 6.3 p-10 45.41 41.45 6.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.781 HG23 ' CE1' ' A' ' 53' ' ' TYR . 55.8 mt -95.51 141.63 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.3 mppt? -86.13 102.69 14.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.913 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 33' ' ' LEU . 8.5 mt -45.09 -55.27 5.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.4 t -48.77 -35.75 15.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -77.26 -23.04 51.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 32' ' ' LYS . 60.6 t -73.55 121.97 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.1 t -70.18 101.86 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.453 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.425 ' HB2' HD23 ' A' ' 17' ' ' LEU . 37.0 ttm180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.768 0.318 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.5 mt -83.48 130.42 35.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.4 mt -99.27 175.25 5.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.961 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.47 ' HG3' HD22 ' A' ' 25' ' ' LEU . 67.9 tttt -66.62 -37.8 85.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.04 -28.11 67.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -62.85 -48.63 78.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.415 ' HB ' HD23 ' A' ' 25' ' ' LEU . 7.7 mm -52.54 -50.26 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.5 mt -61.79 -16.56 50.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -91.05 -28.93 17.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.781 ' CE1' HG23 ' A' ' 31' ' ' ILE . 3.7 t80 -74.18 -24.66 59.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.479 ' HG ' HD11 ' A' ' 31' ' ' ILE . 46.5 mt -76.95 -43.53 34.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.896 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.5 tp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.8 0.334 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.02 150.91 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.2 p -55.32 156.28 8.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.559 0.695 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -30.62 21.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.746 2.297 . . . . 0.0 112.313 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.65 -36.74 76.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.85 -40.22 38.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.517 ' HG2' HD11 ' A' ' 33' ' ' LEU . 63.2 mtp180 -52.83 -35.39 57.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 26' ' ' ALA . 24.1 ttt180 -67.77 -50.19 58.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 25' ' ' LEU . 11.8 tp -39.2 -25.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -81.64 -50.75 8.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.093 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 28' ' ' GLU . 4.5 ptp -51.74 -28.14 14.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 27' ' ' MET . 8.5 mt-10 -80.03 -36.73 35.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.848 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.74 ' HB3' HD21 ' A' ' 54' ' ' LEU . 63.2 m-80 -100.28 18.61 18.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m120 44.33 46.54 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.758 HD11 ' HG ' ' A' ' 54' ' ' LEU . 84.5 mt -99.93 137.19 28.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.179 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -86.24 94.08 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.517 HD11 ' HG2' ' A' ' 23' ' ' ARG . 11.4 mt -34.63 -59.58 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.7 t -45.65 -40.72 9.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 32' ' ' LYS . 80.6 mm-40 -69.67 -36.1 75.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.426 HG22 ' CD2' ' A' ' 53' ' ' TYR . 57.9 t -60.42 129.82 23.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.1 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.8 t -78.18 103.29 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HE ' HD21 ' A' ' 46' ' ' LEU . 39.9 ttp180 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.771 0.32 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.4 mt -79.27 120.51 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.472 HD21 ' HE ' ' A' ' 44' ' ' ARG . 28.5 mt -96.95 173.52 7.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -59.34 -42.93 92.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -52.48 -48.05 66.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -43.69 -51.48 7.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.6 mm -47.99 -45.54 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 48.4 mt -65.97 -22.05 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -83.39 -28.58 28.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.548 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 4.8 t80 -79.04 -20.19 49.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.758 ' HG ' HD11 ' A' ' 31' ' ' ILE . 66.2 mt -87.46 -46.4 9.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.914 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.16 125.78 3.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.045 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.37 161.03 0.22 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.623 0.725 . . . . 0.0 111.14 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.82 -32.13 18.9 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.91 -29.3 66.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.8 t -87.1 -34.33 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.432 ' HG2' HD11 ' A' ' 33' ' ' LEU . 30.5 mtp180 -57.93 -28.99 64.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -77.67 -36.18 51.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.451 HD23 ' CB ' ' A' ' 50' ' ' ILE . 10.3 tp -53.25 -24.31 11.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.485 ' HB1' ' O ' ' A' ' 31' ' ' ILE . . . -83.64 -54.39 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -52.9 -28.56 23.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -80.2 -36.6 34.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.666 ' HB3' HD21 ' A' ' 54' ' ' LEU . 64.1 m-80 -101.18 15.7 27.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 t30 50.33 45.21 26.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.605 HD11 ' HG ' ' A' ' 54' ' ' LEU . 74.1 mt -102.51 143.74 14.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -95.36 93.45 7.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.801 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 33' ' ' LEU . 7.9 mt -34.18 -59.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.3 t -44.44 -45.23 8.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' LYS . 57.3 mm-40 -69.27 -28.68 66.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.426 HG22 ' CD2' ' A' ' 53' ' ' TYR . 59.4 t -71.34 114.45 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.56 100.17 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.964 ' CZ ' HD23 ' A' ' 46' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.816 0.341 . . . . 0.0 110.833 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.2 mt -117.98 107.38 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.964 HD23 ' CZ ' ' A' ' 44' ' ' ARG . 6.0 mt -86.41 166.41 15.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -54.22 -38.09 65.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -55.28 -44.92 76.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -54.05 -36.98 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.797 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.451 ' CB ' HD23 ' A' ' 25' ' ' LEU . 24.8 mm -62.68 -45.33 99.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.7 mt -64.81 -18.96 65.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -87.36 -18.29 30.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.477 ' CE1' HG12 ' A' ' 31' ' ' ILE . 5.3 t80 -85.41 -31.57 22.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.666 HD21 ' HB3' ' A' ' 29' ' ' ASN . 31.5 mt -78.71 -39.02 37.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t 45.76 41.84 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.832 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.1 m -97.12 139.52 32.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.82 164.75 23.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -89.56 133.83 34.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.81 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m -37.42 -51.01 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.3 178.0 15.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -142.96 145.24 32.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.736 0.303 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -140.56 171.42 14.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -131.06 145.62 52.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.0 tt -119.62 144.81 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.061 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -41.63 161.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.58 58.4 0.24 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.472 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -64.77 -57.96 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -73.38 125.72 28.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 m -87.32 143.46 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.172 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.81 HD23 ' O ' ' A' ' 42' ' ' ASP . 52.6 tp -102.82 103.17 13.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.03 150.14 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.48 160.67 1.26 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 111.157 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -43.57 2.59 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.674 2.25 . . . . 0.0 112.369 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.93 -29.32 70.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.5 t -83.86 -37.22 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -54.81 -33.99 62.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 26' ' ' ALA . 7.5 ttt-85 -77.41 -43.45 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.453 ' HG ' HG21 ' A' ' 50' ' ' ILE . 11.4 tp -42.79 -23.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -86.64 -55.07 4.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.098 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -51.14 -23.94 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -84.18 -35.12 23.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -100.79 18.89 18.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 47.39 43.7 15.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.531 HG23 ' CE1' ' A' ' 53' ' ' TYR . 60.7 mt -98.34 135.51 32.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 35' ' ' GLU . 10.1 mptt -82.94 91.76 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.948 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.1 mt -34.02 -58.62 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -45.31 -43.22 10.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 32' ' ' LYS . 77.8 mm-40 -68.78 -33.58 74.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.641 HG22 ' CD2' ' A' ' 53' ' ' TYR . 43.2 t -64.65 101.0 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 37' ' ' VAL . 4.6 p -58.21 101.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.151 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.01 152.89 27.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.524 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 40' ' ' GLY . 2.4 t -106.7 -47.97 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.855 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -36.25 149.29 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -37.84 -65.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.81 ' O ' HD23 ' A' ' 17' ' ' LEU . 72.5 m-20 -77.66 54.1 1.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 45.75 20.45 0.42 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.448 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -66.41 119.6 11.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 110.823 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.9 mt -78.03 112.0 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.8 mt -91.32 173.42 7.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -57.07 -36.46 70.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.4 -41.87 90.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -51.03 -43.09 60.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.453 HG21 ' HG ' ' A' ' 25' ' ' LEU . 22.4 mm -58.34 -54.99 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.68 -18.71 55.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -93.35 -17.8 23.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.641 ' CD2' HG22 ' A' ' 36' ' ' VAL . 5.5 t80 -80.79 -35.86 32.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.804 ' O ' HG23 ' A' ' 58' ' ' THR . 52.6 mt -71.93 -42.45 66.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.974 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -59.75 -24.64 64.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -94.52 -33.93 12.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -71.47 -32.47 68.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.804 HG23 ' O ' ' A' ' 54' ' ' LEU . 71.7 p -68.19 -38.75 82.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.04 48.87 1.19 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.527 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.79 173.4 10.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.332 . . . . 0.0 111.111 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.2 pt -97.8 110.75 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -139.12 147.77 54.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.664 0.745 . . . . 0.0 110.875 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 169.57 18.59 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' SER . 53.1 Cg_endo -69.8 -43.65 2.5 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.366 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' PRO . 46.4 p 37.02 39.59 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 133.39 -178.14 18.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.432 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -30.23 22.4 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.626 2.217 . . . . 0.0 112.374 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 t -50.05 139.97 13.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.0 m -148.6 125.57 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -81.97 119.58 24.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.369 . . . . 0.0 110.867 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.7 p -170.0 150.82 3.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.812 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.04 167.0 27.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.45 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 m -90.1 -58.66 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.831 0.348 . . . . 0.0 110.855 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -77.23 160.59 28.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.68 -143.23 3.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -148.08 128.84 14.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.731 0.301 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.9 pm0 -167.64 149.35 5.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -152.84 147.42 26.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 tt -131.04 147.3 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' N ' ' HE3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -82.27 139.2 34.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -164.3 170.26 39.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -112.94 -53.48 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.923 0.392 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -93.19 157.95 16.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.487 HG21 ' HB3' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -119.2 147.96 43.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.161 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 tp -111.23 110.62 21.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.04 149.32 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.31 160.61 2.4 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.539 0.685 . . . . 0.0 111.204 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.73 3.15 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.76 2.307 . . . . 0.0 112.309 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.06 -32.68 73.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.3 t -80.29 -37.71 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.186 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -56.01 -24.04 36.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -89.33 -20.29 24.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.444 ' HG ' HG21 ' A' ' 50' ' ' ILE . 13.3 tp -64.17 -22.14 66.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.25 -46.71 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ptm -55.89 -23.51 31.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -86.9 -30.07 21.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -106.98 16.2 24.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 m120 49.14 49.73 19.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.583 HD11 ' HG ' ' A' ' 54' ' ' LEU . 71.1 mt -104.06 144.04 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 35' ' ' GLU . 2.1 mptt -90.74 96.82 10.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.487 ' HB3' HG21 ' A' ' 16' ' ' THR . 10.7 mt -36.45 -57.51 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.973 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 t -50.92 -37.09 41.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' LYS . 81.1 mm-40 -73.74 -23.4 59.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.0 t -73.59 121.71 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 67.3 t -71.02 99.3 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.08 168.75 6.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 t -125.23 -42.3 2.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.919 0.39 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -39.93 158.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -52.46 -51.94 56.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.788 0.328 . . . . 0.0 110.818 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -86.73 31.71 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.74 -7.44 26.83 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.425 ' HE ' HD21 ' A' ' 46' ' ' LEU . 55.8 ttp180 -40.04 110.35 0.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.767 0.318 . . . . 0.0 110.839 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.4 mt -70.43 109.59 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.425 HD21 ' HE ' ' A' ' 44' ' ' ARG . 28.1 mt -81.39 176.95 9.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -63.93 -39.44 94.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -57.8 -47.4 82.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -43.07 -45.16 5.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.444 HG21 ' HG ' ' A' ' 25' ' ' LEU . 9.7 mm -59.3 -52.62 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.7 mt -58.86 -15.82 14.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -96.87 -13.67 22.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.501 ' CE1' HG23 ' A' ' 31' ' ' ILE . 3.2 t80 -85.58 -29.08 24.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.583 ' HG ' HD11 ' A' ' 31' ' ' ILE . 19.7 mt -78.75 -44.45 23.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -49.6 -31.19 10.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -73.39 -29.16 62.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -85.21 -40.69 16.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.0 p -56.3 -20.25 17.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -104.75 43.65 1.63 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.441 ' HB3' HD23 ' A' ' 62' ' ' LEU . . . -132.89 160.22 37.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.694 0.283 . . . . 0.0 111.082 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.3 pt -82.41 38.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.441 HD23 ' HB3' ' A' ' 60' ' ' ALA . 4.4 pp -93.6 145.39 29.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 150.43 68.46 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.734 2.289 . . . . 0.0 112.35 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 105.02 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.307 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.9 p -114.37 104.84 12.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.03 146.23 16.82 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.5 Cg_endo -69.8 -4.5 14.18 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.283 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 67' ' ' PRO . 75.0 m -34.63 -70.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.3 t -54.02 -55.54 26.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.557 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 t -169.67 144.27 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.845 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -131.2 161.26 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.14 103.61 0.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 m -108.49 116.77 32.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.9 m -98.04 146.27 25.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.77 104.01 1.57 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -101.21 -53.56 2.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.65 0.262 . . . . 0.0 110.818 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 59.42 43.08 16.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -153.42 136.53 15.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 11' ' ' ILE . 21.6 tt -89.48 116.51 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.044 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -62.55 120.26 10.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.79 156.35 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -118.3 84.93 2.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -169.39 144.08 2.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.431 HG21 HD12 ' A' ' 45' ' ' ILE . 1.4 t -144.57 171.49 14.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.668 HD22 ' HB2' ' A' ' 44' ' ' ARG . 3.5 tt -86.73 106.51 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.83 144.86 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.065 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.22 160.64 4.67 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.603 0.716 . . . . 0.0 111.13 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.8 -41.13 4.48 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.26 -25.15 67.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.1 t -89.52 -33.89 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.431 ' HA ' HD11 ' A' ' 33' ' ' LEU . 32.2 mtp85 -61.53 -21.68 64.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.446 ' NH2' ' OE2' ' A' ' 28' ' ' GLU . 9.5 ttt85 -88.74 -26.09 21.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.553 ' HG ' HG21 ' A' ' 50' ' ' ILE . 11.5 tp -63.94 -21.18 66.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.06 -50.78 5.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.5 ptp -52.82 -28.67 23.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.446 ' OE2' ' NH2' ' A' ' 24' ' ' ARG . 5.4 mm-40 -78.99 -32.09 45.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.486 ' HB3' HD21 ' A' ' 54' ' ' LEU . 69.7 m-80 -105.09 15.83 26.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 m120 51.51 39.92 25.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.729 HG23 ' CE1' ' A' ' 53' ' ' TYR . 92.5 mt -96.23 143.85 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -94.1 93.19 7.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.942 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 32' ' ' LYS . 9.8 mt -34.05 -59.02 0.44 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.0 t -47.93 -41.75 25.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 32' ' ' LYS . 16.0 mm-40 -68.68 -26.09 65.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.759 HG22 ' CD2' ' A' ' 53' ' ' TYR . 54.5 t -73.33 135.28 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.9 t -77.57 99.26 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.78 138.91 43.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.493 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m -88.56 -41.26 12.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.367 . . . . 0.0 110.829 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.14 172.98 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -71.97 -61.87 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.773 0.321 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' ARG . 67.1 m-20 -75.93 63.98 1.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.832 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.9 24.91 0.19 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.591 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.668 ' HB2' HD22 ' A' ' 17' ' ' LEU . 34.6 ttm-85 -76.19 119.39 20.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.823 0.344 . . . . 0.0 110.839 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.431 HD12 HG21 ' A' ' 16' ' ' THR . 7.7 mt -86.26 122.31 38.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.9 mt -93.64 -176.07 3.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -70.51 -39.45 74.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -55.82 -51.25 68.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.413 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 81.6 m-20 -40.29 -45.14 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.553 HG21 ' HG ' ' A' ' 25' ' ' LEU . 6.2 mm -54.94 -51.31 54.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.3 mt -59.87 -20.2 55.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -90.81 -21.52 21.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.759 ' CD2' HG22 ' A' ' 36' ' ' VAL . 12.6 t80 -80.9 -21.77 40.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.555 HD23 ' NE2' ' A' ' 57' ' ' GLN . 19.9 mt -82.33 -36.09 27.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.489 ' O ' ' CG2' ' A' ' 58' ' ' THR . 3.0 pt-20 -63.59 -25.8 68.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -74.73 -32.0 61.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.555 ' NE2' HD23 ' A' ' 54' ' ' LEU . 8.9 mt-30 -66.06 -62.66 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 55' ' ' GLU . 1.4 p 51.64 26.15 3.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.4 63.95 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.46 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -123.53 97.52 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.759 0.314 . . . . 0.0 111.143 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 mt 43.87 44.0 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.4 mt -91.7 147.67 35.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.555 0.693 . . . . 0.0 110.982 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 148.69 65.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -50.77 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.295 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -47.5 151.43 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.83 163.54 45.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -37.11 9.71 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.246 . . . . 0.0 112.394 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.7 p -57.1 119.0 5.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.8 p -123.45 167.25 14.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.0 p -111.0 -44.96 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.5 p -111.38 158.6 18.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.64 106.91 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.1 p -170.53 170.5 6.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -92.1 99.09 11.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.27 78.63 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.438 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -85.28 40.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.675 0.274 . . . . 0.0 110.822 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -131.36 83.41 2.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -74.23 93.06 2.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 11' ' ' ILE . 6.7 tt -101.36 125.53 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -88.07 -43.61 11.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.64 86.99 0.66 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.6 mtp-105 -67.9 105.96 2.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.351 . . . . 0.0 110.845 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -133.71 103.74 6.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 t -121.96 163.16 19.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.73 105.26 4.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.57 136.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.055 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.27 160.63 0.35 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.538 0.685 . . . . 0.0 111.203 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -40.86 4.84 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.89 -27.37 69.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.102 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.8 t -86.81 -34.85 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.551 ' HA ' HD11 ' A' ' 33' ' ' LEU . 69.3 mtp180 -57.74 -24.23 55.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -85.78 -41.74 14.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.42 HD23 ' CB ' ' A' ' 50' ' ' ILE . 10.2 tp -44.75 -26.03 0.35 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.569 ' HB1' ' O ' ' A' ' 31' ' ' ILE . . . -84.35 -48.16 9.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.04 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.0 ptm -57.6 -29.0 64.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -82.29 -29.29 31.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -108.31 17.43 22.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 46.55 50.67 12.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.651 HG23 ' CE1' ' A' ' 53' ' ' TYR . 62.7 mt -109.49 140.98 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 33' ' ' LEU . 4.5 mptt -90.76 92.74 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.551 HD11 ' HA ' ' A' ' 23' ' ' ARG . 8.6 mt -34.21 -59.41 0.44 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 t -43.08 -43.01 4.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.796 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' LYS . 77.3 mm-40 -68.61 -34.32 75.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.467 HG12 ' HB3' ' A' ' 49' ' ' ASP . 58.4 t -61.36 130.61 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.092 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.3 t -72.39 102.56 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.22 135.12 36.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.446 ' HB3' ' CD1' ' A' ' 46' ' ' LEU . 34.9 t -84.13 -48.89 9.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.976 0.417 . . . . 0.0 110.898 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -43.5 166.42 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HE3' ' N ' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -76.15 -49.41 17.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.3 47.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.03 21.39 24.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.401 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -74.9 108.99 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.8 mt -78.64 116.13 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 39' ' ' SER . 10.9 mt -86.53 168.87 13.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -58.59 -43.49 89.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -50.79 -46.89 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.467 ' HB3' HG12 ' A' ' 36' ' ' VAL . 66.4 m-20 -46.4 -39.92 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.42 ' CB ' HD23 ' A' ' 25' ' ' LEU . 27.7 mm -61.32 -46.33 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.9 mt -66.13 -17.69 64.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -93.13 -22.64 18.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.651 ' CE1' HG23 ' A' ' 31' ' ' ILE . 1.5 t80 -79.05 -20.48 48.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.3 mt -84.48 -47.81 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.022 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 4.8 pt-20 -50.48 -30.95 13.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 55' ' ' GLU . 46.6 mtmt -70.91 -34.16 71.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 58' ' ' THR . 3.3 mm100 -78.72 -54.75 5.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' GLN . 71.8 p -36.43 -50.31 0.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.108 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -41.79 -87.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.54 120.04 4.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.738 0.304 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.4 pt -120.24 111.51 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.6 mt -139.67 144.1 37.82 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.588 0.709 . . . . 0.0 110.945 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.21 54.28 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.716 2.277 . . . . 0.0 112.342 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 125.61 12.3 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.7 m -60.22 89.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.98 146.58 18.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -40.37 5.32 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.636 2.224 . . . . 0.0 112.335 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.6 t -60.13 116.93 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -128.61 84.01 2.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.515 -179.887 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -119.08 -43.82 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.871 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 t -94.95 107.87 19.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.764 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.94 137.29 0.66 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.521 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 t -105.65 -46.96 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 p -57.43 117.79 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.06 174.86 34.56 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.1 m80 -67.13 122.46 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 110.811 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -106.39 -44.18 4.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 56.3 45.54 22.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.403 HG13 ' N ' ' A' ' 12' ' ' LYS . 4.2 tp -49.21 146.43 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.161 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' N ' HG13 ' A' ' 11' ' ' ILE . 20.6 pttp -58.58 133.58 55.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.61 74.79 0.41 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.425 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -57.39 -56.08 26.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -127.38 81.57 2.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.472 HG21 ' HB3' ' A' ' 33' ' ' LEU . 4.6 m -50.82 148.4 4.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.48 103.08 15.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.73 156.81 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.77 160.68 13.97 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.536 0.684 . . . . 0.0 111.2 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -39.78 6.1 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.357 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.45 -32.49 74.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.4 t -79.85 -39.16 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -52.46 -27.98 18.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -80.86 -38.85 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.562 HD23 ' HB ' ' A' ' 50' ' ' ILE . 12.2 tp -48.61 -19.06 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 30' ' ' ASN . . . -92.19 -49.72 6.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.058 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.8 ptp -55.66 -30.59 61.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -79.74 -33.53 40.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -104.18 15.27 28.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 26' ' ' ALA . 36.7 m-20 47.19 48.46 15.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.681 HD11 ' HG ' ' A' ' 54' ' ' LEU . 81.2 mt -100.77 142.78 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -89.75 92.76 9.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.472 ' HB3' HG21 ' A' ' 16' ' ' THR . 11.2 mt -34.2 -59.59 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -45.12 -41.56 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 32' ' ' LYS . 8.1 mm-40 -69.05 -37.05 78.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.3 t -55.81 121.8 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.1 t -66.84 98.3 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.5 142.82 47.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.6 t -101.14 -43.48 5.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.872 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.68 162.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -65.41 -57.51 8.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.754 0.311 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.98 54.15 1.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.12 16.02 1.81 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.547 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -69.05 119.05 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 59.5 mt -82.97 124.38 39.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.8 mt -95.57 151.39 19.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.7 -43.18 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.866 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.6 mp0 -50.96 -60.21 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.5 m-20 -34.67 -47.34 0.33 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.562 ' HB ' HD23 ' A' ' 25' ' ' LEU . 9.2 mm -57.9 -63.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 mt -54.99 -24.74 25.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -86.03 -22.14 27.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 3.9 t80 -79.21 -26.34 42.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.681 ' HG ' HD11 ' A' ' 31' ' ' ILE . 39.2 mt -80.11 -47.67 14.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -50.65 -27.51 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.819 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -76.12 -34.23 59.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 58' ' ' THR . 2.8 mm100 -79.21 -55.32 5.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 57' ' ' GLN . 82.0 p -34.2 113.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.58 -44.04 1.57 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.428 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 61' ' ' ILE . . . -49.41 97.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.319 . . . . 0.0 111.087 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 60' ' ' ALA . 3.3 mt 36.98 49.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -70.51 145.39 92.73 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.583 0.706 . . . . 0.0 110.954 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 148.86 66.27 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.737 2.291 . . . . 0.0 112.339 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 175.57 8.01 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 0.0 112.279 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -69.9 155.17 40.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -53.73 -94.78 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.529 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 90.37 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.604 2.202 . . . . 0.0 112.316 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.1 t -143.97 149.03 36.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -65.54 -44.87 85.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.466 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -85.53 132.3 34.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -133.03 125.85 30.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.62 159.86 9.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.423 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -158.5 151.15 22.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.854 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -96.26 159.3 15.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.42 116.38 1.25 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -161.44 164.43 29.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -68.85 117.93 11.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' ILE . 9.3 tt0 -87.97 147.12 25.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' GLU . 18.8 tt -37.18 149.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -79.25 -54.4 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.56 170.82 20.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -74.66 -59.23 2.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.402 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -67.79 107.54 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.978 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -57.2 151.87 14.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.587 HD22 ' HB2' ' A' ' 44' ' ' ARG . 2.2 tt -109.67 102.54 11.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -173.84 154.82 2.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.94 160.54 10.8 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.585 0.707 . . . . 0.0 111.144 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.63 -42.48 3.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.725 2.283 . . . . 0.0 112.369 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.17 -32.72 72.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.9 t -79.18 -39.83 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.447 ' HG2' HD11 ' A' ' 33' ' ' LEU . 30.9 mtp180 -53.15 -40.03 63.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' ALA . 11.7 ttt-85 -66.4 -48.08 71.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.506 HD23 ' HB ' ' A' ' 50' ' ' ILE . 10.5 tp -41.96 -23.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -84.77 -52.16 6.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.047 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.0 ptp -54.88 -26.5 36.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -82.41 -37.94 24.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.572 ' HB3' HD21 ' A' ' 54' ' ' LEU . 56.3 m-80 -98.39 15.52 24.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.3 m120 49.32 44.88 23.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.725 HG23 ' CE1' ' A' ' 53' ' ' TYR . 84.3 mt -98.85 138.82 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.058 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 35' ' ' GLU . 9.6 mptt -86.92 93.63 9.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 33' ' ' LEU . 9.9 mt -34.22 -58.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.2 t -47.05 -41.47 16.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' LYS . 16.4 mm-40 -68.5 -29.66 68.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.604 HG22 ' CD2' ' A' ' 53' ' ' TYR . 24.6 t -72.19 96.57 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -54.77 96.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.58 155.02 0.23 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.6 t -105.08 -48.8 3.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.907 0.384 . . . . 0.0 110.84 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.86 155.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -50.8 -52.93 36.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' GLY . 26.2 m-20 -81.9 60.37 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.82 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 42' ' ' ASP . . . 35.81 34.22 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.587 ' HB2' HD22 ' A' ' 17' ' ' LEU . 42.9 ttp180 -84.78 131.81 34.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.8 mt -89.69 114.91 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.1 mt -91.05 170.21 10.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.945 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -57.96 -39.15 77.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -59.69 -39.98 86.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.426 ' CG ' HG12 ' A' ' 36' ' ' VAL . 15.8 t0 -53.45 -43.63 68.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.506 ' HB ' HD23 ' A' ' 25' ' ' LEU . 14.1 mm -59.82 -47.28 92.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.8 mt -66.84 -18.47 65.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -94.25 -18.62 21.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.725 ' CE1' HG23 ' A' ' 31' ' ' ILE . 3.4 t80 -80.8 -29.03 36.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 29' ' ' ASN . 16.6 mt -78.77 -46.5 18.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -49.01 -28.69 4.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -73.78 -31.91 63.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 58' ' ' THR . 27.9 mm-40 -80.27 -64.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.465 HG23 ' H ' ' A' ' 59' ' ' GLY . 1.2 t -34.29 -52.2 0.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.465 ' H ' HG23 ' A' ' 58' ' ' THR . . . -88.65 65.2 3.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.438 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.87 96.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.746 0.308 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.4 mt 45.98 37.69 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -130.9 149.5 73.88 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 110.913 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 148.62 65.86 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.324 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -175.28 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -53.95 -48.95 69.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.13 146.29 4.3 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.43 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 175.61 7.89 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.712 2.275 . . . . 0.0 112.289 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.3 t -71.66 153.87 41.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.802 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 t -90.0 -48.67 7.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.443 179.924 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -61.4 145.71 50.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -74.39 115.87 14.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.11 -147.49 19.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -110.96 155.68 22.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.2 p -152.39 135.58 15.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.99 108.52 1.93 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 8' ' ' HIS . 11.4 p80 -112.85 99.28 7.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.759 0.314 . . . . 0.0 110.754 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -118.45 153.62 33.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -133.57 80.89 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 tp -75.9 -33.44 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -169.14 161.03 10.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.22 -164.97 13.59 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.491 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.6 ttt-85 -110.63 127.15 55.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.18 144.96 40.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.828 HG21 ' HB3' ' A' ' 33' ' ' LEU . 6.8 m -82.16 129.98 34.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.151 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.3 tp -85.97 107.48 17.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.96 164.97 3.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.49 160.71 70.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.522 0.677 . . . . 0.0 111.127 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -40.03 5.81 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.71 -31.54 72.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.4 t -81.03 -37.81 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -54.73 -27.34 40.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 26' ' ' ALA . 9.3 ttt180 -80.21 -44.99 18.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.615 ' HG ' HG21 ' A' ' 50' ' ' ILE . 11.1 tp -42.15 -25.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -86.5 -51.76 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -54.25 -26.46 29.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -83.58 -31.21 26.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.461 ' HB3' HD21 ' A' ' 54' ' ' LEU . 57.0 m-80 -105.93 18.02 22.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 48.71 48.93 19.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.496 ' CG2' ' CG2' ' A' ' 36' ' ' VAL . 61.6 mt -101.12 142.07 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 35' ' ' GLU . 6.4 mptt -90.8 92.69 8.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.828 ' HB3' HG21 ' A' ' 16' ' ' THR . 8.8 mt -35.29 -45.15 0.3 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.0 t -57.23 -44.16 83.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 32' ' ' LYS . 5.6 mm-40 -69.19 -34.59 75.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.752 HG12 ' OD2' ' A' ' 49' ' ' ASP . 13.9 t -63.8 102.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 81.1 t -61.2 97.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -53.62 171.19 0.79 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' GLY . 1.3 t -122.69 -43.08 2.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.945 0.402 . . . . 0.0 110.858 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -36.64 154.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.498 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.78 -54.25 15.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.707 0.289 . . . . 0.0 110.846 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.68 31.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.59 3.53 58.8 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.6 ttm-85 -53.12 108.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.765 0.317 . . . . 0.0 110.829 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.486 HG23 ' OD2' ' A' ' 49' ' ' ASP . 19.4 mt -66.08 117.9 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.2 mt -92.24 167.0 12.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.1 tttt -54.46 -42.6 70.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -52.85 -44.69 66.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.752 ' OD2' HG12 ' A' ' 36' ' ' VAL . 12.2 t0 -48.88 -44.48 40.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.615 HG21 ' HG ' ' A' ' 25' ' ' LEU . 17.6 mm -55.92 -50.99 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.51 -21.14 65.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.979 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -87.62 -19.14 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.596 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 2.3 t80 -86.76 -19.57 28.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 29' ' ' ASN . 12.1 mt -90.2 -41.23 11.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.91 -27.92 2.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -76.71 -33.99 58.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' THR . 2.8 mm100 -78.35 -55.49 5.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 57' ' ' GLN . 74.0 p -34.56 128.05 0.45 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.34 -53.76 0.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.564 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.58 140.88 21.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.8 pt -105.65 40.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.5 mt -69.94 157.91 88.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.585 0.707 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 159.51 53.18 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.741 2.294 . . . . 0.0 112.379 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.33 44.73 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.9 t -126.13 161.89 26.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.52 82.91 0.16 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.565 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 175.91 7.47 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.667 2.245 . . . . 0.0 112.347 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.0 p -135.69 142.51 45.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.6 p -169.52 106.44 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.496 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -149.1 116.38 6.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 p -146.24 146.22 30.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.61 141.35 8.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.456 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -121.44 105.25 10.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 110.843 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 m -91.16 113.91 26.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.18 -120.16 6.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -121.7 171.25 9.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.7 0.286 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -117.09 148.68 41.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 41.01 53.38 3.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.2 tt -86.07 149.15 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.165 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -100.34 -47.99 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.12 21.74 48.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.9 mtp-105 -129.07 157.43 41.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -57.21 150.96 16.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 m -78.68 136.88 37.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.0 mt -91.96 117.63 30.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.04 149.92 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.29 160.87 28.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.703 . . . . 0.0 111.114 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -36.18 11.08 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.329 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.31 -37.2 84.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.086 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.647 HG13 HG13 ' A' ' 50' ' ' ILE . 54.0 t -76.34 -40.02 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.168 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.3 mtp85 -48.92 -32.38 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -79.28 -40.76 29.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.525 HD23 ' HB ' ' A' ' 50' ' ' ILE . 12.1 tp -49.14 -19.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.42 -51.11 5.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.4 ptp -54.91 -32.6 61.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -78.07 -34.81 50.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.933 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.508 ' HB3' HD21 ' A' ' 54' ' ' LEU . 66.1 m-80 -102.21 19.06 19.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.7 m120 44.16 49.62 7.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.549 HD11 ' HG ' ' A' ' 54' ' ' LEU . 81.3 mt -104.08 139.53 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.483 ' HB2' ' CG ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -90.11 95.46 10.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 33' ' ' LEU . 8.7 mt -35.44 -54.34 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 t -49.76 -41.32 43.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.483 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 7.7 mm-40 -69.65 -29.3 66.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.613 HG22 ' CD2' ' A' ' 53' ' ' TYR . 44.7 t -70.88 126.97 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.4 t -72.19 103.51 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.31 148.94 36.51 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.4 t -117.62 -33.71 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.393 . . . . 0.0 110.869 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 44' ' ' ARG . . . -50.78 153.8 3.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -48.07 149.49 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 61.99 38.77 13.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.52 26.69 57.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.522 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 40' ' ' GLY . 10.9 ttt85 -77.17 138.65 39.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.864 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.3 mt -92.28 143.28 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.5 mt -110.6 -177.83 3.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -68.56 -41.34 79.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -54.55 -47.6 73.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -47.23 -49.31 23.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.647 HG13 HG13 ' A' ' 22' ' ' VAL . 7.1 mm -54.26 -45.14 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.1 mt -66.79 -18.86 65.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -94.64 -19.13 20.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.613 ' CD2' HG22 ' A' ' 36' ' ' VAL . 1.2 t80 -80.95 -26.4 36.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.549 ' HG ' HD11 ' A' ' 31' ' ' ILE . 36.6 mt -79.16 -47.87 15.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.475 ' HA ' ' CG2' ' A' ' 58' ' ' THR . 10.5 pt-20 -48.35 -32.76 7.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -68.81 -33.85 74.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 59' ' ' GLY . 4.8 mm100 -79.03 -64.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.475 ' CG2' ' HA ' ' A' ' 55' ' ' GLU . 1.4 t -35.29 -31.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 57' ' ' GLN . . . -107.75 68.94 0.22 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -114.81 -178.7 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 111.066 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 pt -91.58 95.72 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.614 ' C ' HD12 ' A' ' 62' ' ' LEU . 2.1 pp -140.74 144.33 35.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.587 0.708 . . . . 0.0 110.923 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.533 ' O ' HD12 ' A' ' 62' ' ' LEU . 54.8 Cg_endo -69.67 149.19 67.11 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.697 2.264 . . . . 0.0 112.376 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 0.75 5.21 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.774 2.316 . . . . 0.0 112.343 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.0 m -38.71 -39.8 0.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 174.5 78.28 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.52 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -1.57 8.64 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.381 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.9 p 55.91 34.99 24.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.6 t -112.75 168.31 9.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.239 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.43 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -54.38 -49.3 70.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.394 . . . . 0.0 110.966 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -48.62 119.14 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.69 -61.65 0.28 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.3 t -163.02 117.88 1.72 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.835 0.35 . . . . 0.0 110.779 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 m -76.16 142.73 41.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.47 -88.73 1.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.557 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -74.21 155.44 38.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.686 0.279 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -121.19 -47.84 2.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -137.21 155.29 49.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 tt -90.71 148.99 4.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -85.7 -40.8 15.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.47 81.58 1.6 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.2 mtt-85 -97.77 84.29 3.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.938 0.399 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -79.8 159.57 26.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.453 HG21 ' HB3' ' A' ' 33' ' ' LEU . 5.3 t -134.83 167.73 20.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.33 102.25 8.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.48 133.68 2.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.991 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.81 160.77 0.23 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.527 0.68 . . . . 0.0 111.171 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -39.36 6.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.646 2.231 . . . . 0.0 112.303 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.61 -27.34 68.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.1 t -85.54 -34.98 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.571 ' HA ' HD11 ' A' ' 33' ' ' LEU . 20.0 mtp85 -57.27 -23.3 47.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -86.75 -36.77 18.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.529 ' HG ' HG21 ' A' ' 50' ' ' ILE . 12.2 tp -50.83 -22.91 2.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.523 ' HB1' ' O ' ' A' ' 31' ' ' ILE . . . -87.17 -53.43 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -54.7 -22.11 12.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -90.94 -21.14 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.5 ' HB3' HD21 ' A' ' 54' ' ' LEU . 50.3 m-80 -114.73 14.75 17.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 51.47 51.52 16.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.766 HG23 ' CE1' ' A' ' 53' ' ' TYR . 25.9 mt -115.32 141.89 30.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' HB2' ' CG ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -94.38 95.63 9.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.83 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' A' ' 23' ' ' ARG . 9.2 mt -37.49 -59.68 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.1 t -43.89 -37.68 2.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 5.1 mm-40 -71.15 -32.12 68.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.659 HG22 ' CD2' ' A' ' 53' ' ' TYR . 21.4 t -70.32 119.2 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.6 t -69.33 100.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.11 155.46 21.86 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.563 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.42 ' HB2' HD13 ' A' ' 46' ' ' LEU . 14.4 m -118.93 -37.25 3.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 110.827 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.437 ' H ' ' CD1' ' A' ' 46' ' ' LEU . . . -40.27 156.91 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.52 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -36.52 -70.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.763 0.316 . . . . 0.0 110.892 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -81.73 55.81 2.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.28 18.02 2.07 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.539 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.536 ' O ' HD12 ' A' ' 46' ' ' LEU . 24.0 ttm180 -64.74 113.36 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 110.911 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.2 mt -67.04 112.04 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 44' ' ' ARG . 6.1 mp -80.05 152.24 29.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -45.54 -40.51 8.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -55.93 -41.76 75.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -49.46 -39.89 35.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.529 HG21 ' HG ' ' A' ' 25' ' ' LEU . 16.0 mm -60.64 -47.7 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.3 mt -66.92 -21.4 65.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -88.85 -24.62 22.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.766 ' CE1' HG23 ' A' ' 31' ' ' ILE . 1.7 t80 -80.26 -21.61 42.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.668 ' CD2' HD11 ' A' ' 31' ' ' ILE . 49.2 mt -78.96 -43.7 24.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -56.73 -25.65 55.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -82.95 -42.29 17.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -71.78 -30.83 65.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 54' ' ' LEU . 51.8 p -69.67 -42.77 73.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.205 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -92.0 44.1 2.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -98.87 178.03 5.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.656 0.265 . . . . 0.0 111.154 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.9 pt -112.34 37.17 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.173 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.3 mp -52.95 152.74 6.85 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.684 0.754 . . . . 0.0 110.947 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 148.69 65.57 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.71 -35.03 13.54 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.309 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.7 m -38.87 118.43 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -130.03 66.92 0.57 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -16.46 37.66 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.712 2.275 . . . . 0.0 112.414 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.3 m -93.03 -59.42 2.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.6 p -103.1 125.79 49.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 p -113.61 172.19 7.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.6 p -129.28 -53.26 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.14 141.43 1.74 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.549 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -161.33 145.18 13.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.391 . . . . 0.0 110.837 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 p -173.42 161.72 4.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.26 52.29 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.535 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -170.93 148.23 2.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.795 0.331 . . . . 0.0 110.81 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -167.06 106.24 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -139.18 123.96 18.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.816 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.1 tt -141.78 154.51 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.197 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -104.14 173.64 6.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.05 -172.8 19.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -133.76 92.68 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt -133.21 136.39 45.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.645 HG21 ' HB3' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -113.18 139.2 48.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 tp -84.14 106.44 15.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.405 ' HB2' ' HB ' ' A' ' 45' ' ' ILE . . . -174.28 157.24 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.68 160.77 24.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 111.158 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -37.69 8.65 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -32.75 74.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.1 t -79.72 -39.46 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 7.1 mtp-105 -49.71 -26.63 3.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -90.14 -24.49 21.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.575 ' HG ' HG21 ' A' ' 50' ' ' ILE . 11.4 tp -63.25 -21.0 65.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.05 -42.03 9.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -61.64 -22.51 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -88.29 -30.1 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.461 ' HB3' HD21 ' A' ' 54' ' ' LEU . 64.8 m-80 -102.89 10.66 38.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.1 t30 51.88 45.56 28.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.636 HG23 ' CE1' ' A' ' 53' ' ' TYR . 93.4 mt -102.34 138.03 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.472 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -85.53 100.35 11.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.808 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.658 HD22 HD13 ' A' ' 45' ' ' ILE . 11.1 mt -43.38 -50.26 6.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -52.87 -32.04 42.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.458 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 14.1 mm-40 -82.86 -18.45 40.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.898 HG12 ' OD2' ' A' ' 49' ' ' ASP . 17.8 t -86.18 107.39 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.158 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.4 t -66.85 102.31 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.65 146.43 49.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.51 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 40' ' ' GLY . 3.9 m -83.02 -38.11 23.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.819 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -35.56 153.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.558 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -57.43 -49.8 75.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -84.27 22.1 1.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.56 0.77 90.08 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.391 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -49.32 120.85 4.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.658 HD13 HD22 ' A' ' 33' ' ' LEU . 17.3 mt -80.64 109.31 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 mt -80.03 -176.02 5.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.5 tttt -70.92 -43.49 68.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -53.44 -46.83 70.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.898 ' OD2' HG12 ' A' ' 36' ' ' VAL . 13.8 t0 -39.55 -52.75 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.575 HG21 ' HG ' ' A' ' 25' ' ' LEU . 15.9 mm -52.59 -57.86 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.5 mt -54.03 -18.68 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -93.59 -19.72 20.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.844 ' CD2' HG22 ' A' ' 36' ' ' VAL . 8.4 t80 -82.14 -27.31 32.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 29' ' ' ASN . 26.9 mt -75.84 -35.17 60.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.964 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.452 ' O ' ' CG2' ' A' ' 58' ' ' THR . 3.0 pt-20 -64.0 -26.14 68.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -73.96 -29.14 61.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -68.6 -64.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.452 ' CG2' ' O ' ' A' ' 55' ' ' GLU . 3.0 p 54.64 36.72 26.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.64 -40.53 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.94 -176.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.73 0.3 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 pt -96.73 104.88 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.437 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -120.68 156.42 56.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.588 0.709 . . . . 0.0 110.938 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 166.51 27.33 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.712 2.274 . . . . 0.0 112.355 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -40.42 5.49 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.738 2.292 . . . . 0.0 112.379 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.2 m -66.27 116.22 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -139.84 83.36 0.23 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 143.43 50.72 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.268 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.1 t -145.24 138.9 26.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.1 p -126.76 166.05 18.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.583 -0.207 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 m -127.82 130.24 48.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.351 . . . . 0.0 110.845 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -83.84 156.13 22.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.29 158.65 28.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -170.64 107.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.949 0.404 . . . . 0.0 110.862 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 p -120.65 151.0 40.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.4 74.87 0.27 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -131.4 130.87 43.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.749 0.309 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -147.06 137.46 23.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.45 ' C ' ' CD ' ' A' ' 10' ' ' GLU . 1.3 pp20? -162.35 151.59 15.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.5 tt -125.23 152.0 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -174.84 155.32 2.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.6 81.02 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -153.68 152.27 30.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.903 0.382 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -74.2 81.44 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -41.7 146.7 0.23 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -95.17 97.95 10.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.0 155.21 1.96 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.078 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.4 160.61 23.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.546 0.688 . . . . 0.0 111.119 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -40.56 5.19 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.733 2.289 . . . . 0.0 112.343 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.44 -37.24 82.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.3 t -77.43 -39.78 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -52.48 -33.59 45.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 26' ' ' ALA . 14.3 ttm180 -73.92 -48.42 30.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 24' ' ' ARG . 15.1 tp -36.22 -30.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -84.85 -45.7 12.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.025 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' ARG . 2.4 ptm -56.76 -21.61 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.811 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -92.88 -23.34 18.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.477 ' HB3' HD21 ' A' ' 54' ' ' LEU . 35.9 m-80 -109.73 14.26 23.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 m120 48.54 53.27 12.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.599 HD11 HD21 ' A' ' 54' ' ' LEU . 69.1 mt -109.09 142.65 21.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.478 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -89.34 92.84 9.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.8 mt -34.15 -58.07 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.6 t -44.93 -44.03 9.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.817 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' LYS . 33.5 mm-40 -68.9 -29.95 68.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -69.66 97.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 37' ' ' VAL . 7.1 p -54.8 104.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.21 148.26 50.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.54 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 40' ' ' GLY . 11.1 m -96.51 -43.36 7.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.017 0.437 . . . . 0.0 110.955 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -37.75 156.47 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.534 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -55.41 -57.62 11.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.88 47.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.86 16.29 7.54 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.446 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -67.35 112.96 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.341 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.1 mt -73.53 122.38 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 47' ' ' LYS . 21.3 mt -100.33 150.19 22.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 46' ' ' LEU . 28.7 tttm -34.83 -46.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 49' ' ' ASP . 1.8 mp0 -50.2 -60.98 2.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 48' ' ' GLU . 23.0 m-20 -34.41 -40.73 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.3 mm -59.31 -50.74 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' GLU . 36.0 mt -60.8 -18.27 54.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.93 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -89.14 -18.71 26.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.494 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 7.7 t80 -87.67 -21.43 25.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.599 HD21 HD11 ' A' ' 31' ' ' ILE . 9.7 mt -87.92 -40.24 14.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -48.35 -27.58 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -79.71 -28.77 40.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -84.81 -48.96 8.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.6 p -55.69 -16.07 3.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.178 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.15 -29.96 6.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.29 154.55 37.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.708 0.289 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.577 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -70.17 0.16 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.814 HD12 ' O ' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -89.0 143.73 31.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.606 0.717 . . . . 0.0 110.963 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.814 ' O ' HD12 ' A' ' 62' ' ' LEU . 53.6 Cg_endo -69.82 148.37 64.54 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 65' ' ' SER . 53.9 Cg_endo -69.76 95.53 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 64' ' ' PRO . 3.2 t -35.05 104.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.35 146.19 9.52 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.523 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 123.76 10.44 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.68 2.253 . . . . 0.0 112.318 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.4 t -153.32 108.01 3.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 m -43.3 133.32 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.467 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.41 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 38.87 43.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 110.78 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -71.75 -55.3 7.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.813 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.72 53.74 0.48 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.539 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 m -44.6 158.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -135.22 136.63 41.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.4 130.83 1.27 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -136.38 136.56 39.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.777 0.322 . . . . 0.0 110.803 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 -71.14 -26.95 63.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -108.79 140.73 41.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 12' ' ' LYS . 8.9 tp -103.98 150.55 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' N ' HG13 ' A' ' 11' ' ' ILE . 16.7 pttm -99.37 41.72 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.97 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.95 77.77 0.47 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.524 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -67.27 -48.81 66.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.863 0.363 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.407 ' NZ ' ' HB2' ' A' ' 15' ' ' LYS . 6.6 mtmp? -108.64 170.58 7.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 m -85.89 151.04 24.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.85 108.89 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.561 ' HB2' ' HB ' ' A' ' 45' ' ' ILE . . . -173.53 138.99 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -42.13 160.64 0.17 Allowed Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.562 0.696 . . . . 0.0 111.108 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 -39.24 6.93 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.656 2.237 . . . . 0.0 112.377 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.52 -30.25 70.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.056 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.5 t -79.87 -36.86 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -56.25 -26.5 51.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -84.73 -39.67 18.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.494 HD23 ' CB ' ' A' ' 50' ' ' ILE . 13.0 tp -46.87 -23.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.54 -55.38 4.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ptm -49.35 -33.38 13.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -76.76 -27.71 55.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.645 ' HB3' HD21 ' A' ' 54' ' ' LEU . 59.6 m-80 -110.32 19.33 18.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 45.23 42.99 7.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.779 HG23 ' CE1' ' A' ' 53' ' ' TYR . 77.8 mt -97.1 142.15 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HB2' ' CG ' ' A' ' 35' ' ' GLU . 7.0 mptt -90.64 98.13 11.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 33' ' ' LEU . 11.3 mt -40.76 -56.37 2.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.1 t -48.23 -33.43 8.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.46 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 70.4 mm-40 -75.86 -30.18 58.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.946 HG12 ' OD2' ' A' ' 49' ' ' ASP . 13.6 t -73.57 98.01 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.108 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 37' ' ' VAL . 6.2 p -62.03 100.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.89 170.95 42.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.6 m -123.85 -45.12 2.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.372 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.806 ' H ' HD21 ' A' ' 46' ' ' LEU . . . -47.67 139.7 9.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.472 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' GLY . 3.6 ttpm? -36.15 148.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.724 0.297 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 60.07 44.92 12.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.9 20.77 6.57 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.436 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -61.59 112.01 2.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.751 0.31 . . . . 0.0 110.92 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.561 ' HB ' ' HB2' ' A' ' 18' ' ' ALA . 46.9 mt -82.71 126.8 40.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.806 HD21 ' H ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -99.45 144.89 28.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 46' ' ' LEU . 85.1 tttt -35.65 -39.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -53.32 -53.84 45.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.946 ' OD2' HG12 ' A' ' 36' ' ' VAL . 11.9 t0 -42.01 -46.83 4.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.494 ' CB ' HD23 ' A' ' 25' ' ' LEU . 17.5 mm -53.18 -47.1 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.9 mt -65.02 -18.38 65.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -89.89 -17.68 27.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.779 ' CE1' HG23 ' A' ' 31' ' ' ILE . 2.9 t80 -86.8 -24.41 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.645 HD21 ' HB3' ' A' ' 29' ' ' ASN . 9.6 mt -84.67 -43.53 14.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.41 ' CD ' ' HG3' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -44.78 -27.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HG3' ' CD ' ' A' ' 55' ' ' GLU . 50.5 mttm -81.44 -50.91 8.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -31.86 70.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 74.2 p -71.46 106.53 3.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.09 47.14 5.91 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.496 ' O ' ' CD1' ' A' ' 62' ' ' LEU . . . -133.0 174.44 10.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 111.09 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.651 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -76.28 3.29 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.616 ' C ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -48.06 152.03 1.56 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.59 0.71 . . . . 0.0 110.941 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 147.3 62.54 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.783 2.322 . . . . 0.0 112.378 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 138.79 38.64 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.716 2.277 . . . . 0.0 112.342 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.3 t -118.83 110.19 16.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 47.7 -160.23 0.48 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 102.29 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.726 2.284 . . . . 0.0 112.343 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 93.3 p -124.88 168.09 13.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 t -139.68 165.81 26.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.896 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.944 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.1 m -141.37 144.8 34.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -130.76 161.43 31.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.53 72.1 0.33 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.464 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 m -94.33 104.31 16.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 110.865 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -87.73 98.42 11.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.5 88.5 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.457 ' CD2' ' H ' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -109.36 157.31 19.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.721 0.296 . . . . 0.0 110.893 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.08 155.29 3.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 mp0 -118.73 136.13 54.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.0 tt -104.72 -23.75 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -171.13 162.68 7.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.62 62.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -57.26 12.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.865 0.364 . . . . 0.0 110.885 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 pttm -103.43 172.93 6.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.452 HG21 HD13 ' A' ' 33' ' ' LEU . 4.2 m -113.65 145.84 40.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 42' ' ' ASP . 57.5 tp -113.37 104.84 12.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.06 159.57 2.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.064 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.47 160.7 23.2 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.601 0.715 . . . . 0.0 111.144 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.64 -38.46 8.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.631 2.221 . . . . 0.0 112.385 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.62 -32.4 73.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -80.12 -38.94 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.159 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -53.44 -25.97 18.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.799 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' ALA . 3.8 ttt180 -80.29 -48.24 13.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.651 HD23 ' HB ' ' A' ' 50' ' ' ILE . 12.8 tp -42.34 -23.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -86.01 -52.89 5.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.028 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.8 ptp -54.6 -28.35 45.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.86 -34.91 57.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.528 ' HB3' HD21 ' A' ' 54' ' ' LEU . 62.1 m-80 -100.65 13.48 34.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 50.47 42.24 26.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.638 HD11 ' HG ' ' A' ' 54' ' ' LEU . 97.4 mt -97.92 135.12 33.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 35' ' ' GLU . 9.0 mptt -78.93 92.53 4.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.452 HD13 HG21 ' A' ' 16' ' ' THR . 11.4 mt -34.43 -57.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 t -46.25 -41.85 13.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.801 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' LYS . 76.1 mm-40 -68.42 -27.29 66.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.666 HG12 ' OD2' ' A' ' 49' ' ' ASP . 21.4 t -75.5 103.31 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 37' ' ' VAL . 7.1 p -62.07 101.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -50.97 178.86 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.506 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.5 m -132.92 -38.88 0.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.964 0.411 . . . . 0.0 110.838 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -41.28 156.82 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -45.46 -56.16 5.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.515 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.1 m-20 -84.62 32.49 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.44 5.78 56.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -53.13 114.86 1.6 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.759 0.314 . . . . 0.0 110.91 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.6 mt -68.11 115.32 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.7 mt -87.6 170.1 11.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.489 ' HG3' HD22 ' A' ' 25' ' ' LEU . 23.2 tttm -62.99 -37.73 88.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.94 -33.72 72.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.666 ' OD2' HG12 ' A' ' 36' ' ' VAL . 15.9 t0 -58.75 -40.22 83.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.651 ' HB ' HD23 ' A' ' 25' ' ' LEU . 4.1 mm -61.5 -48.39 89.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.7 mt -66.67 -17.38 64.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.98 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -91.17 -18.52 24.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.549 ' CD2' HG22 ' A' ' 36' ' ' VAL . 3.2 t80 -84.25 -26.28 28.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.638 ' HG ' HD11 ' A' ' 31' ' ' ILE . 37.4 mt -82.49 -39.11 22.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.657 ' O ' HG23 ' A' ' 58' ' ' THR . 3.3 pt-20 -55.05 -26.03 34.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -78.03 -21.32 50.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 59' ' ' GLY . 60.2 mm-40 -72.62 -64.62 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 55' ' ' GLU . 12.6 p 33.98 34.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 57' ' ' GLN . . . -147.63 -44.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.656 ' O ' HD23 ' A' ' 62' ' ' LEU . . . -47.69 165.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.331 . . . . 0.0 111.093 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pt -61.96 74.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 60' ' ' ALA . 1.4 pt? -157.03 150.34 18.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.62 0.724 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 143.75 51.92 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.744 2.296 . . . . 0.0 112.337 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -161.57 172.08 16.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.69 63.83 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 129.23 17.18 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.317 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.4 m -65.53 144.76 56.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.3 m -78.31 -60.44 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.544 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 t -148.82 135.26 19.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 110.865 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 p -151.13 148.13 27.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.785 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.38 167.32 30.01 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.483 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.7 p -88.82 -53.83 4.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.905 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.0 p -79.46 -43.05 23.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.77 -93.56 1.72 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.568 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -126.62 88.75 2.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.779 0.324 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -154.38 133.28 12.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -141.16 141.54 34.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.1 tp -91.29 135.23 27.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.472 ' CE ' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -93.97 -178.13 4.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 179.858 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.46 ' N ' ' HG2' ' A' ' 12' ' ' LYS . . . 151.94 75.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -98.88 -41.21 7.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.352 . . . . 0.0 110.853 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -119.36 105.69 11.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -79.19 154.31 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.205 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 42' ' ' ASP . 39.9 tp -107.17 102.08 11.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.07 161.56 2.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.55 160.83 70.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.585 0.707 . . . . 0.0 111.131 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -39.7 6.1 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.719 2.28 . . . . 0.0 112.364 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.0 -36.23 80.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.2 t -79.05 -37.52 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 9.8 mtp-105 -54.04 -30.06 46.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 26' ' ' ALA . 32.0 ttt180 -77.12 -46.99 21.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.503 HD23 ' HB ' ' A' ' 50' ' ' ILE . 14.4 tp -41.23 -24.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -88.15 -41.92 12.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' ARG . 2.5 ptt? -62.09 -21.76 65.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -87.32 -29.93 21.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -106.44 16.59 24.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 48.19 44.7 19.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.436 HD11 ' HG ' ' A' ' 54' ' ' LEU . 70.5 mt -100.47 134.38 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -82.64 93.76 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.829 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 32' ' ' LYS . 11.5 mt -34.11 -59.61 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -42.95 -42.68 3.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' LYS . 73.6 mm-40 -70.16 -31.84 69.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 33' ' ' LEU . 54.3 t -63.67 107.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.069 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.0 t -54.66 102.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.165 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.32 126.03 21.9 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 40' ' ' GLY . 10.3 p -82.52 -44.27 16.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.41 . . . . 0.0 110.869 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -34.52 148.15 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.513 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -45.64 -62.62 1.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.612 ' O ' HD23 ' A' ' 17' ' ' LEU . 64.7 m-20 -78.94 45.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.843 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.34 9.72 6.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -60.34 121.02 11.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.823 0.344 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.9 mt -78.61 118.19 25.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.6 mt -94.89 171.17 8.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 tttp -56.28 -41.92 76.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.22 -48.78 73.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.43 ' HB3' HG12 ' A' ' 36' ' ' VAL . 75.0 m-20 -40.57 -52.05 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.503 ' HB ' HD23 ' A' ' 25' ' ' LEU . 10.2 mm -52.22 -57.92 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.196 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.0 mt -56.65 -18.08 10.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.045 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -90.29 -22.97 21.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.961 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.543 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 1.4 t80 -81.54 -25.79 35.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.436 ' HG ' HD11 ' A' ' 31' ' ' ILE . 33.6 mt -79.03 -45.08 20.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -51.54 -26.25 8.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -78.5 -26.56 45.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -90.35 -31.41 16.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.8 p -66.45 -17.6 64.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.15 -43.65 98.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -44.46 154.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.044 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.7 mt -117.89 102.17 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 pp -93.89 150.77 39.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.587 0.708 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 148.64 65.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.379 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 82.43 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.237 . . . . 0.0 112.303 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.0 m -127.96 175.18 8.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.09 83.42 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 92.88 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.741 2.294 . . . . 0.0 112.279 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.8 t -90.42 100.03 12.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.0 p -96.34 94.6 7.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.558 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m -127.64 100.69 6.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.929 0.395 . . . . 0.0 110.866 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t -92.29 -59.54 2.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.828 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.26 -104.56 1.63 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.0 m 43.85 41.67 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.4 p -74.72 117.32 16.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.03 168.32 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.457 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -76.16 118.1 18.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.741 0.305 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -42.7 -49.63 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -89.06 126.89 35.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.7 tt -112.42 -17.99 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? 51.33 43.47 29.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.53 163.66 26.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.526 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -87.67 -68.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.913 0.387 . . . . 0.0 110.915 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -56.52 145.01 29.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -142.68 126.64 17.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.83 139.17 33.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.84 123.1 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.071 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -39.71 160.87 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.596 0.713 . . . . 0.0 111.117 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 -36.03 11.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.72 2.28 . . . . 0.0 112.322 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -28.87 65.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.196 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.2 t -84.29 -36.36 11.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -56.67 -19.22 15.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -91.16 -40.54 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.3 tp -50.93 -19.79 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.03 -53.71 4.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.1 ptp -51.85 -29.1 18.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -82.14 -23.69 35.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.414 ' HB3' HD21 ' A' ' 54' ' ' LEU . 64.1 m-80 -113.9 16.75 18.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 45.48 51.51 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.595 HG23 ' CE1' ' A' ' 53' ' ' TYR . 68.7 mt -105.04 138.64 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -88.94 98.01 11.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.948 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.863 HD22 HD13 ' A' ' 45' ' ' ILE . 9.3 mt -42.21 -55.86 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.8 t -44.33 -33.07 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -77.41 -33.19 55.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.507 HG22 ' CD2' ' A' ' 53' ' ' TYR . 18.6 t -70.71 127.51 32.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.2 t -74.96 97.89 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.76 146.33 50.07 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.516 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' GLY . 5.5 t -96.91 -49.44 5.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.901 0.381 . . . . 0.0 110.868 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -34.83 142.62 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.414 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -49.07 -57.03 7.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.987 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -75.87 53.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 45.9 22.98 0.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -79.28 118.07 20.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.732 0.301 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.863 HD13 HD22 ' A' ' 33' ' ' LEU . 9.7 mt -76.15 136.04 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.2 mt -101.69 167.9 9.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -59.34 -37.49 77.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -57.78 -44.94 86.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.483 ' HB3' HG12 ' A' ' 36' ' ' VAL . 87.2 m-20 -49.56 -46.69 49.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.8 mm -53.17 -52.46 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.3 mt -59.04 -16.73 20.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -93.18 -13.67 28.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.595 ' CE1' HG23 ' A' ' 31' ' ' ILE . 7.2 t80 -89.16 -28.32 20.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.543 ' HG ' HD11 ' A' ' 31' ' ' ILE . 11.1 mt -80.52 -35.43 34.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -57.93 -25.1 60.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -80.81 -10.65 59.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.41 ' CG ' ' HA ' ' A' ' 54' ' ' LEU . 10.6 mm-40 -75.08 -64.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.7 p 47.79 32.94 2.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -154.1 -43.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.466 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.1 137.85 1.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.729 0.3 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.6 pt -91.1 52.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.0 mt -100.14 152.48 37.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.543 0.687 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 168.62 21.05 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.409 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 135.65 31.18 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.702 2.268 . . . . 0.0 112.407 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 t -48.11 -39.52 20.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.93 -159.38 28.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 2.78 3.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.246 . . . . 0.0 112.372 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.1 m 38.95 50.82 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.775 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.5 t -167.07 125.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 m -115.87 145.06 43.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.945 0.402 . . . . 0.0 110.832 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -50.32 110.68 0.43 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.8 95.83 0.11 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.427 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -111.14 85.82 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.941 0.401 . . . . 0.0 110.892 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 p -108.13 120.84 43.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.18 -49.52 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -106.74 98.43 8.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.775 0.322 . . . . 0.0 110.808 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -116.51 68.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 19.2 mp0 -49.87 124.88 10.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.9 tt -88.49 -25.74 5.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.175 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -142.87 141.35 31.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -159.73 -137.88 2.33 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -49.79 -50.1 46.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -87.48 135.63 33.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 m -114.27 133.95 55.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -87.72 124.83 33.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.15 143.04 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.47 160.96 38.29 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.599 0.714 . . . . 0.0 111.14 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -29.25 24.06 Favored 'Trans proline' 0 N--CA 1.466 -0.125 0 C-N-CA 122.739 2.293 . . . . 0.0 112.335 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.93 -35.96 64.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.046 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.602 HG13 HG13 ' A' ' 50' ' ' ILE . 92.8 t -80.65 -37.77 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -50.28 -27.94 6.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -85.88 -28.39 24.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.574 ' HG ' HG21 ' A' ' 50' ' ' ILE . 12.1 tp -58.64 -21.87 55.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 31' ' ' ILE . . . -89.52 -53.06 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.1 ptm -50.27 -26.56 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -86.46 -31.04 21.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.629 ' HB3' HD21 ' A' ' 54' ' ' LEU . 63.6 m-80 -106.12 19.59 20.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 42.75 52.72 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.534 HD11 ' HG ' ' A' ' 54' ' ' LEU . 98.6 mt -108.19 135.47 46.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -85.51 95.42 9.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.603 HD22 HD13 ' A' ' 45' ' ' ILE . 8.0 mt -37.54 -55.48 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -46.88 -39.3 11.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LYS . 7.3 mm-40 -70.24 -37.12 74.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.413 ' CG1' ' HB3' ' A' ' 49' ' ' ASP . 20.4 t -63.89 124.1 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.1 t -74.12 95.59 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.87 146.85 48.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' GLY . 11.7 p -100.23 -32.61 10.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.948 0.404 . . . . 0.0 110.913 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -37.55 151.5 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.463 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' C ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -58.25 -43.68 87.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.747 0.308 . . . . 0.0 110.927 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.27 29.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.88 3.55 68.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.415 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -58.11 145.15 37.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.722 0.296 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.603 HD13 HD22 ' A' ' 33' ' ' LEU . 13.2 mt -97.65 117.19 41.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.9 mt -86.78 161.88 18.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -53.74 -38.6 64.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.22 -45.17 75.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.413 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 69.0 m-20 -51.41 -47.78 62.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.602 HG13 HG13 ' A' ' 22' ' ' VAL . 19.9 mm -52.81 -53.61 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.4 mt -61.73 -17.61 56.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -88.47 -21.15 24.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -85.61 -25.57 26.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.629 HD21 ' HB3' ' A' ' 29' ' ' ASN . 45.6 mt -82.96 -35.85 25.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 58' ' ' THR . 5.3 pt-20 -57.1 -25.33 58.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -81.93 -25.74 34.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' THR . 7.4 mm100 -72.51 -64.69 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 55' ' ' GLU . 13.1 p 34.08 38.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -157.76 -44.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.43 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -38.8 153.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.74 0.305 . . . . 0.0 111.049 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.9 mm -106.82 85.49 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.547 HD23 ' H ' ' A' ' 62' ' ' LEU . 1.6 pt? -101.29 150.79 37.47 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.651 0.739 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 152.02 69.45 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.763 2.309 . . . . 0.0 112.341 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -1.9 9.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -39.98 -47.23 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.18 -161.6 37.59 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 178.36 4.63 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.293 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.1 p -111.31 102.67 11.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 m -114.38 96.58 5.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.515 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -131.08 175.37 9.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.849 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -130.45 140.35 50.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.15 80.58 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 6' ' ' SER . 13.8 m -130.53 113.16 13.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 5' ' ' SER . 33.0 p -34.82 -45.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.04 104.57 1.95 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -144.09 175.49 10.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.746 0.308 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -125.27 92.48 3.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -173.85 123.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 12' ' ' LYS . 2.9 tp -57.76 140.15 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.14 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' N ' HG13 ' A' ' 11' ' ' ILE . 11.3 tptm -50.27 139.79 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.56 82.97 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.529 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -131.67 139.9 49.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.06 95.37 0.72 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -41.14 149.14 0.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -104.63 104.0 13.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.04 152.8 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.78 160.69 5.42 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.592 0.71 . . . . 0.0 111.136 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -40.9 4.68 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.706 2.27 . . . . 0.0 112.385 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.62 -31.63 71.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.0 t -83.79 -38.75 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -55.5 -20.5 13.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -88.57 -37.68 15.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.666 ' HG ' HG21 ' A' ' 50' ' ' ILE . 11.9 tp -49.37 -22.04 1.03 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.62 -44.18 9.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.6 ptm -61.68 -21.76 64.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -90.89 -23.96 20.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.521 ' HB3' HD21 ' A' ' 54' ' ' LEU . 59.2 m-80 -109.67 12.82 24.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 52.19 43.86 30.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.837 HG23 ' CE1' ' A' ' 53' ' ' TYR . 58.5 mt -100.35 139.67 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.4 mppt? -85.9 95.58 9.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 33' ' ' LEU . 10.0 mt -34.97 -56.31 0.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.4 t -49.59 -40.72 39.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' LYS . 5.9 mm-40 -69.31 -25.34 64.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.435 HG22 ' CD2' ' A' ' 53' ' ' TYR . 21.2 t -74.51 115.45 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.2 t -69.14 96.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.58 166.21 2.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' GLY . 1.4 t -122.66 -39.55 2.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.966 0.412 . . . . 0.0 110.843 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -36.88 154.8 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.515 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -56.61 10.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.749 0.309 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -83.88 37.43 0.6 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.97 -0.81 20.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -52.28 115.51 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.4 mt -69.97 130.35 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.208 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.8 mt -105.14 169.94 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -57.89 -40.72 80.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -52.63 -53.43 47.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -42.47 -48.26 5.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.666 HG21 ' HG ' ' A' ' 25' ' ' LEU . 8.1 mm -52.59 -56.02 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.0 mt -55.22 -19.67 8.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -91.52 -18.83 23.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.837 ' CE1' HG23 ' A' ' 31' ' ' ILE . 14.6 t80 -81.86 -33.59 30.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.608 ' O ' HG23 ' A' ' 58' ' ' THR . 10.4 mt -70.48 -37.1 74.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -66.8 -26.28 66.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -91.72 -37.97 12.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.434 ' OE1' HD23 ' A' ' 54' ' ' LEU . 6.8 pt20 -63.39 -30.74 71.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 54' ' ' LEU . 43.4 p -70.02 -37.35 75.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -105.1 55.61 0.56 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 61' ' ' ILE . . . -111.14 162.53 14.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.471 ' C ' ' O ' ' A' ' 60' ' ' ALA . 6.3 pt 32.54 43.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.64 144.13 93.08 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.607 0.717 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 159.57 52.95 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.688 2.259 . . . . 0.0 112.359 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -20.33 34.83 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.4 t -87.66 108.5 19.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 159.7 -90.1 0.11 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.544 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -35.02 13.29 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.704 2.27 . . . . 0.0 112.276 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.6 t -70.21 161.04 31.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.8 t -97.84 154.95 17.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m 61.89 42.23 10.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t 42.75 42.07 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.42 -157.77 7.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.517 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 p -128.56 162.37 27.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 m -84.7 159.72 20.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' CD2' ' A' ' 8' ' ' HIS . . . -109.41 177.95 20.33 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 7' ' ' GLY . 35.2 m170 -146.88 114.46 6.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.787 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -137.31 146.69 44.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -135.67 129.96 33.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 12' ' ' LYS . 8.4 tp -98.88 150.74 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.06 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.456 ' N ' HG13 ' A' ' 11' ' ' ILE . 16.5 ttmt -116.73 123.89 48.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.27 143.29 4.18 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -79.11 -57.65 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.93 0.395 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' CD ' ' NH2' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -112.94 178.83 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.828 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.524 HG21 ' HB3' ' A' ' 33' ' ' LEU . 6.7 t -104.25 163.06 12.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.425 HD23 ' HB2' ' A' ' 44' ' ' ARG . 11.9 tp -81.32 102.0 10.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -158.05 140.48 14.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.18 160.77 0.83 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.565 0.698 . . . . 0.0 111.171 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -35.48 12.39 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.254 . . . . 0.0 112.312 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.44 -30.6 68.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.059 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.0 t -82.49 -38.45 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.481 ' NH2' ' CD ' ' A' ' 15' ' ' LYS . 53.3 mtp180 -53.91 -31.18 49.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -75.25 -43.16 53.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.47 HD22 ' HG3' ' A' ' 47' ' ' LYS . 12.4 tp -47.79 -19.41 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.55 -45.94 9.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.439 ' HG3' ' N ' ' A' ' 28' ' ' GLU . 3.7 ptp -56.41 -27.33 56.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 27' ' ' MET . 13.9 mm-40 -82.18 -34.6 28.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 30' ' ' ASN . 63.9 m-80 -101.61 12.94 36.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 6.3 p-10 45.41 41.45 6.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.781 HG23 ' CE1' ' A' ' 53' ' ' TYR . 55.8 mt -95.51 141.63 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.3 mppt? -86.13 102.69 14.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.913 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.524 ' HB3' HG21 ' A' ' 16' ' ' THR . 8.5 mt -45.09 -55.27 5.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.4 t -48.77 -35.75 15.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -77.26 -23.04 51.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 32' ' ' LYS . 60.6 t -73.55 121.97 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.1 t -70.18 101.86 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.75 155.53 44.71 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.453 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.7 t -117.29 -39.96 3.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.012 0.434 . . . . 0.0 110.888 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 44' ' ' ARG . . . -58.31 167.51 6.13 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 42' ' ' ASP . 14.5 tppt? -64.21 154.45 34.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.346 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 25.3 m-20 56.53 39.76 29.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.49 18.57 63.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 40' ' ' GLY . 37.0 ttm180 -66.01 112.08 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.816 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.5 mt -83.48 130.42 35.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.4 mt -99.27 175.25 5.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.961 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.47 ' HG3' HD22 ' A' ' 25' ' ' LEU . 67.9 tttt -66.62 -37.8 85.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.04 -28.11 67.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -62.85 -48.63 78.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.415 ' HB ' HD23 ' A' ' 25' ' ' LEU . 7.7 mm -52.54 -50.26 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.5 mt -61.79 -16.56 50.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -91.05 -28.93 17.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.781 ' CE1' HG23 ' A' ' 31' ' ' ILE . 3.7 t80 -74.18 -24.66 59.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 58' ' ' THR . 46.5 mt -76.95 -43.53 34.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 2.9 pt-20 -60.81 -26.5 67.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 55' ' ' GLU . 20.9 mtpp -81.01 -38.56 27.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.489 ' NE2' HD23 ' A' ' 54' ' ' LEU . 2.3 pt20 -76.08 -34.13 59.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 54' ' ' LEU . 41.6 p -67.46 104.73 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.9 -13.81 1.14 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.45 -176.31 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.689 0.281 . . . . 0.0 111.196 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.5 pt -81.79 40.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mp -41.46 157.93 0.19 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 110.997 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 162.77 40.75 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.644 2.229 . . . . 0.0 112.368 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -4.78 14.74 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.732 2.288 . . . . 0.0 112.378 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.0 m -68.58 78.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.75 83.35 0.13 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -17.68 37.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t 64.87 52.78 1.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.2 p -140.87 105.34 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.557 -0.217 . . . . 0.0 112.557 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t 52.7 42.2 31.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 110.844 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m 54.06 42.22 31.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.33 107.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.466 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.2 p -95.11 -45.51 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.855 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -125.33 96.07 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.784 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.02 96.63 0.14 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -82.13 113.91 20.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -83.96 41.85 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -103.22 113.25 26.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.9 tp -91.48 -30.72 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.87 -51.12 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.93 106.98 3.02 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 14' ' ' ARG . 23.9 mtm105 -92.1 157.44 16.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.921 0.391 . . . . 0.0 110.907 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -49.2 149.67 1.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 m -80.07 145.86 32.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.163 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.5 tp -103.29 99.77 9.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.02 150.91 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.2 p -55.32 156.28 8.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.559 0.695 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -30.62 21.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.746 2.297 . . . . 0.0 112.313 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.65 -36.74 76.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.85 -40.22 38.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.517 ' HG2' HD11 ' A' ' 33' ' ' LEU . 63.2 mtp180 -52.83 -35.39 57.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 26' ' ' ALA . 24.1 ttt180 -67.77 -50.19 58.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 25' ' ' LEU . 11.8 tp -39.2 -25.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . -81.64 -50.75 8.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.093 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 28' ' ' GLU . 4.5 ptp -51.74 -28.14 14.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 27' ' ' MET . 8.5 mt-10 -80.03 -36.73 35.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.848 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.74 ' HB3' HD21 ' A' ' 54' ' ' LEU . 63.2 m-80 -100.28 18.61 18.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m120 44.33 46.54 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.758 HD11 ' HG ' ' A' ' 54' ' ' LEU . 84.5 mt -99.93 137.19 28.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.179 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -86.24 94.08 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.517 HD11 ' HG2' ' A' ' 23' ' ' ARG . 11.4 mt -34.63 -59.58 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.7 t -45.65 -40.72 9.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 32' ' ' LYS . 80.6 mm-40 -69.67 -36.1 75.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.426 HG22 ' CD2' ' A' ' 53' ' ' TYR . 57.9 t -60.42 129.82 23.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.1 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.8 t -78.18 103.29 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.51 155.37 14.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 40' ' ' GLY . 7.8 t -116.94 -43.86 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.808 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -36.54 154.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.47 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -48.08 -55.82 9.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.74 0.305 . . . . 0.0 110.821 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -84.36 36.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.29 -0.77 15.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.431 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HE ' HD21 ' A' ' 46' ' ' LEU . 39.9 ttp180 -50.2 124.64 10.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 110.851 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.4 mt -79.27 120.51 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.472 HD21 ' HE ' ' A' ' 44' ' ' ARG . 28.5 mt -96.95 173.52 7.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -59.34 -42.93 92.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -52.48 -48.05 66.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -43.69 -51.48 7.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.6 mm -47.99 -45.54 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 48.4 mt -65.97 -22.05 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -83.39 -28.58 28.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.548 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 4.8 t80 -79.04 -20.19 49.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.758 ' HG ' HD11 ' A' ' 31' ' ' ILE . 66.2 mt -87.46 -46.4 9.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -54.19 -31.19 52.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -71.74 -39.96 69.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' THR . 6.3 mm100 -70.48 -64.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' GLN . 5.3 t 33.98 52.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -174.18 -44.32 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.513 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.49 179.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pt -93.74 104.11 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 pp -131.7 154.25 81.75 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.598 0.713 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 166.96 25.81 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.654 2.236 . . . . 0.0 112.386 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 115.38 4.07 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.2 m -123.71 174.6 7.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.96 145.55 15.75 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.458 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 133.84 26.61 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.701 2.268 . . . . 0.0 112.373 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 m -76.44 -49.22 17.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.4 m -92.94 122.84 35.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -162.7 135.67 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.879 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -166.93 177.21 6.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.65 115.06 0.34 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -138.85 145.33 39.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.925 0.393 . . . . 0.0 110.846 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.0 p -147.24 145.27 29.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.84 115.71 2.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.454 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -110.35 107.59 17.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.751 0.31 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.5 173.41 11.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -132.1 102.02 5.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.9 tp -106.76 141.74 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -129.62 160.06 34.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.88 163.97 6.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.557 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -96.84 77.78 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.918 0.39 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.22 125.68 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 t -131.51 162.22 30.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.09 96.92 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.16 125.78 3.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.045 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.37 161.03 0.22 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.623 0.725 . . . . 0.0 111.14 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.82 -32.13 18.9 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.91 -29.3 66.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.8 t -87.1 -34.33 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' HG2' HD11 ' A' ' 33' ' ' LEU . 30.5 mtp180 -57.93 -28.99 64.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -77.67 -36.18 51.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.451 HD23 ' CB ' ' A' ' 50' ' ' ILE . 10.3 tp -53.25 -24.31 11.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.485 ' HB1' ' O ' ' A' ' 31' ' ' ILE . . . -83.64 -54.39 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -52.9 -28.56 23.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -80.2 -36.6 34.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.666 ' HB3' HD21 ' A' ' 54' ' ' LEU . 64.1 m-80 -101.18 15.7 27.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 t30 50.33 45.21 26.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.605 HD11 ' HG ' ' A' ' 54' ' ' LEU . 74.1 mt -102.51 143.74 14.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -95.36 93.45 7.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.801 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 33' ' ' LEU . 7.9 mt -34.18 -59.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.3 t -44.44 -45.23 8.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' LYS . 57.3 mm-40 -69.27 -28.68 66.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.426 HG22 ' CD2' ' A' ' 53' ' ' TYR . 59.4 t -71.34 114.45 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.56 100.17 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.01 167.89 6.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 t -129.61 -42.8 1.28 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.921 0.391 . . . . 0.0 110.905 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.05 156.3 11.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.532 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -46.14 154.56 0.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.763 0.316 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 56.15 51.46 11.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.81 18.85 1.16 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.964 ' CZ ' HD23 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -57.86 149.58 22.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 110.833 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.2 mt -117.98 107.38 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.964 HD23 ' CZ ' ' A' ' 44' ' ' ARG . 6.0 mt -86.41 166.41 15.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -54.22 -38.09 65.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -55.28 -44.92 76.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -54.05 -36.98 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.797 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.451 ' CB ' HD23 ' A' ' 25' ' ' LEU . 24.8 mm -62.68 -45.33 99.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.7 mt -64.81 -18.96 65.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -87.36 -18.29 30.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.477 ' CE1' HG12 ' A' ' 31' ' ' ILE . 5.3 t80 -85.41 -31.57 22.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.666 HD21 ' HB3' ' A' ' 29' ' ' ASN . 31.5 mt -78.71 -39.02 37.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.618 ' O ' HG23 ' A' ' 58' ' ' THR . 4.1 pt-20 -57.23 -25.87 59.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -79.54 -25.2 41.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' THR . 14.5 mm100 -71.32 -64.68 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 55' ' ' GLU . 13.7 p 33.96 41.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -155.32 -38.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.552 ' HB3' HD12 ' A' ' 62' ' ' LEU . . . -50.84 -176.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 111.072 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 62' ' ' LEU . 37.0 pt -91.12 38.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.087 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.552 HD12 ' HB3' ' A' ' 60' ' ' ALA . 5.9 mp -37.42 144.23 0.33 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.589 0.709 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.88 164.04 36.12 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.622 2.215 . . . . 0.0 112.363 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 85.58 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.768 2.312 . . . . 0.0 112.352 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.0 t -140.59 172.18 13.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.6 78.87 0.24 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 1.28 4.57 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.738 2.292 . . . . 0.0 112.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.9 m -66.08 118.36 9.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.8 p -145.19 179.92 7.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.434 179.944 . . . . . . . . 0 0 . 1 stop_ save_