data_2mjo_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 2mjo _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 121.665 0.745 . . . . 0.0 111.128 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.8 Cg_endo -69.79 -22.55 31.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.3 t -66.15 -61.22 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -61.7 -41.32 97.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.05 -54.78 30.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.072 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.8 m -61.14 -54.44 44.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.6 mt -50.54 -44.18 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.15 -38.08 87.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.04 -56.37 19.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.91 -43.15 63.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.59 -57.66 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.3 t -54.43 -45.53 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.8 t -63.19 -41.34 92.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.99 -40.86 99.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -50.08 27.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.8 t -61.8 -56.32 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.54 -56.45 16.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -49.98 -66.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.3 mt -50.84 -54.98 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.94 -61.74 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -61.04 -22.66 64.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.66 -23.35 42.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . 0.535 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.665 0.745 . . . . 0.0 111.167 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 54.0 Cg_endo -69.72 -22.33 32.42 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.329 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 93.1 t -66.16 -63.98 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -66.15 -40.28 90.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.59 -55.6 24.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.135 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 13.9 m -60.34 -54.93 39.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 89.3 mt -50.99 -43.15 25.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -60.28 -42.04 94.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.48 81.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.8 -37.83 74.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.078 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.24 -44.04 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 85.9 t -63.49 -43.48 98.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 58.9 t -70.67 -41.56 77.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.61 -38.75 96.37 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.2 -52.36 19.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 85.0 t -62.57 -56.21 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.11 -59.43 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -47.38 -69.11 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 20.7 mt -48.9 -53.79 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.164 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -48.18 -68.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -56.94 -22.09 35.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -23.93 44.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.514 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.694 0.759 . . . . 0.0 111.125 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.6 Cg_endo -69.73 -28.87 24.85 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.367 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.6 t -62.87 -62.24 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -64.59 -41.54 96.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.64 -53.27 40.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.085 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.5 m -62.47 -54.27 42.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 90.5 mt -50.45 -43.97 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.6 -37.24 86.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.4 -58.06 9.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.09 -46.01 61.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.9 t -59.89 -55.14 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.11 -42.65 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.87 -41.9 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.065 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.17 -42.6 99.84 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.422 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.89 -48.76 43.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.57 -58.43 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.82 -55.12 21.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -51.4 -67.88 0.21 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.5 mt -50.31 -57.34 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.83 -61.23 1.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -58.9 -25.63 63.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -67.44 -51.77 47.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.951 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . 0.516 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.579 0.704 . . . . 0.0 111.127 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.8 Cg_endo -69.78 -28.83 24.66 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.686 2.258 . . . . 0.0 112.349 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 94.8 t -65.03 -63.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -62.68 -38.63 91.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.96 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.49 -54.59 30.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.091 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 5.4 m -63.59 -54.0 42.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.795 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 90.4 mt -49.89 -44.2 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.02 -42.25 98.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.61 -49.89 74.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.29 -40.93 83.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.05 -37.52 67.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 70.1 t -69.16 -40.55 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 51.8 t -70.85 -42.28 77.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.23 -41.15 99.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -50.89 34.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 110.926 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 90.6 t -63.0 -59.2 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -49.96 -59.07 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -48.45 -71.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 25.6 mt -47.0 -56.69 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.091 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -46.43 -65.0 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -56.76 -24.53 50.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -69.58 -52.43 26.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 2.4 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.639 0.733 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 54.1 Cg_endo -69.71 -39.82 6.14 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.72 2.28 . . . . 0.0 112.372 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.4 t -53.67 -58.57 3.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.187 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -55.85 -40.95 73.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.13 -55.28 25.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -61.41 -54.82 38.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.9 mt -50.26 -44.06 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.96 -37.01 85.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.79 -57.53 10.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.75 -42.26 62.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.47 -58.56 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.177 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.7 t -53.29 -45.59 56.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.4 t -62.74 -42.86 97.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.71 -40.81 95.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.75 -54.69 8.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.9 t -57.26 -55.65 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.102 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.87 -57.98 8.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -49.14 -67.42 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.2 mt -49.73 -50.29 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.4 -61.63 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.051 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -65.5 -22.66 66.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.8 -49.52 77.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . 0.521 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 2.2 mt . . . . . 0 C--O 1.232 0.183 0 CA-C-O 121.613 0.72 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 54.2 Cg_endo -69.75 -41.84 3.93 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 0.0 112.389 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 29.5 t -54.55 -58.91 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -56.66 -39.98 74.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.69 -54.88 27.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 81.1 p -61.71 -55.09 34.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 91.2 mt -49.96 -43.88 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.178 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.53 -40.53 94.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.99 75.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.91 -38.76 76.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 1.2 t -73.49 -41.32 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.105 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 74.4 t -66.44 -42.09 89.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 56.8 t -71.27 -41.57 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.87 -38.81 95.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.434 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.84 -54.82 10.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.33 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 92.3 t -60.61 -56.44 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.32 -60.12 3.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -47.41 -70.31 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 15.6 mt -47.2 -53.1 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -48.81 -63.76 1.0 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -58.27 -25.95 62.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.27 -48.17 82.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.613 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 2.0 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.587 0.708 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.4 Cg_endo -69.77 -46.44 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.648 2.232 . . . . 0.0 112.309 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -50.0 -62.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -59.8 -43.22 94.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.77 -54.11 38.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.9 p -62.39 -54.47 39.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.8 mt -50.64 -43.58 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -59.07 -48.32 82.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.04 -48.26 73.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.98 -43.38 77.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.9 t -62.85 -58.18 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.4 t -50.13 -50.45 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.192 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.5 t -60.75 -44.29 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.3 -39.36 82.11 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.9 -59.68 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.5 t -53.72 -58.35 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.86 -50.12 57.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -54.74 -44.13 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.4 mt -63.57 -50.08 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.77 -40.02 78.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.029 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -72.01 -25.98 62.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -82.77 -25.64 32.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . 0.624 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 3.8 mm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.589 0.709 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 54.6 Cg_endo -69.65 -42.65 3.32 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.706 2.27 . . . . 0.0 112.399 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 97.8 t -51.78 -62.32 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -62.58 -42.04 99.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.87 -54.02 40.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.103 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 6.0 p -62.45 -56.11 21.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 90.3 mt -49.61 -43.69 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.47 -49.74 76.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.08 -49.34 69.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.18 -44.81 71.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 15.0 t -62.77 -58.24 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 85.4 t -49.86 -50.61 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 49.9 t -61.14 -44.06 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.168 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -56.43 -39.33 83.46 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.61 -59.73 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.94 0.4 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 96.7 t -54.49 -58.25 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.5 -49.28 55.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -54.7 -44.55 73.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 10.5 mt -63.52 -50.18 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.13 -39.17 81.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -71.13 -26.5 63.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -82.42 -26.47 32.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.815 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.541 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 3.0 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.597 0.713 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.9 Cg_endo -69.8 -30.47 22.02 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.7 t -54.62 -63.1 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -70.26 -39.99 74.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.39 -52.74 60.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.8 m -63.04 -54.77 32.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 86.1 mt -51.17 -43.78 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.37 -48.21 81.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.62 -51.57 66.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.82 -45.98 64.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.35 -61.55 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.7 t -50.11 -49.81 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.4 t -61.26 -41.05 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.183 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.68 -39.7 96.98 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.582 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.29 -52.7 15.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.327 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.17 -55.39 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.61 -58.35 7.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.18 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -48.24 -67.26 0.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.0 mt -50.11 -54.49 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.63 -61.14 2.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.012 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -61.29 -22.6 65.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -69.52 -43.92 72.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.962 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.8 mtp85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.893 179.905 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . 0.524 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 3.0 mt . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 121.633 0.73 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.3 Cg_endo -69.86 -32.6 17.86 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.663 2.242 . . . . 0.0 112.36 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 69.3 t -53.34 -67.98 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -64.31 -39.34 93.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.6 -54.78 32.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 66.6 m -61.78 -54.85 36.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 89.2 mt -50.62 -43.84 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -58.64 -47.25 85.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.31 -51.37 68.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.061 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.17 -45.79 65.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 16.8 t -62.48 -61.45 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 60.5 t -50.04 -49.88 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.37 -41.0 88.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.71 -40.49 98.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.31 -52.63 17.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 77.6 t -60.39 -56.91 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.0 -58.4 6.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -48.27 -70.06 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.918 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 14.4 mt -47.85 -52.9 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.123 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -47.75 -63.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -61.41 -19.22 61.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -72.5 -44.98 61.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 32.2 mtp85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.511 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.59 0.71 . . . . 0.0 111.137 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 54.2 Cg_endo -69.73 -41.33 4.41 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.259 . . . . 0.0 112.331 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -51.72 -53.34 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -62.73 -41.72 99.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.37 -52.17 48.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.054 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -53.28 55.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.7 mt -50.6 -43.73 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.37 -44.75 96.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.01 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.53 -55.28 35.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.9 -43.88 63.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.1 -55.21 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.3 t -53.55 -45.56 59.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.54 -44.0 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.26 -39.93 83.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.29 -58.71 3.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.6 t -54.88 -58.53 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.227 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.35 -48.2 55.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -58.41 -42.5 87.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.8 mt -66.35 -52.03 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.35 -37.78 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -71.49 -51.21 24.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.89 -55.16 21.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . 0.53 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 1.4 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.59 0.71 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 54.4 Cg_endo -69.71 -40.51 5.32 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.662 2.241 . . . . 0.0 112.409 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 39.8 t -50.99 -54.96 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -64.54 -41.89 96.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -51.43 -52.9 42.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.15 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -54.09 43.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 88.8 mt -50.69 -43.13 23.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.56 -43.43 98.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.98 -51.18 70.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.252 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.82 -36.43 72.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.072 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -73.36 -44.01 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.97 -42.59 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 42.4 t -69.39 -43.09 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.187 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.72 -38.34 91.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -57.46 4.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 91.3 t -57.86 -57.95 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.08 -51.06 45.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -52.01 -41.18 62.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 13.1 mt -65.4 -52.82 47.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -53.1 -38.29 62.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -71.52 -51.83 21.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.99 -55.57 22.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.536 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 121.658 0.742 . . . . 0.0 111.157 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 54.5 Cg_endo -69.8 -33.52 16.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.252 . . . . 0.0 112.373 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.8 t -51.59 -61.03 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -59.88 -43.24 94.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.06 -53.98 35.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.5 p -61.72 -53.18 59.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.2 mt -51.06 -43.42 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.74 -41.88 98.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.942 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.43 -55.86 29.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.079 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.55 -43.19 62.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.01 -56.66 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.6 t -52.67 -46.32 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.61 -43.64 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.77 -39.67 87.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.546 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -57.39 4.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 85.0 t -55.62 -57.3 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.58 -55.06 17.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -50.06 -65.7 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.2 mt -50.13 -54.4 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.27 -27.29 34.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -84.97 -27.57 26.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 tttm -81.4 -53.75 6.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.679 0.752 . . . . 0.0 111.122 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.1 Cg_endo -69.77 -34.03 15.37 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 94.8 t -53.04 -62.15 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -60.77 -41.43 95.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -51.6 -54.74 24.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 59.6 p -60.99 -54.37 45.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 89.5 mt -50.54 -43.12 22.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.35 -41.86 97.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.89 -52.68 64.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.084 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.23 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.69 -45.64 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 97.4 t -61.93 -42.18 93.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 44.1 t -69.53 -43.16 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.057 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.64 -37.91 90.35 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.33 -57.56 4.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.894 0.378 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 81.2 t -57.6 -56.18 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.37 -57.0 10.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -48.8 -65.8 0.51 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 9.9 mt -49.86 -54.49 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -54.03 -26.92 28.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -86.51 -26.54 24.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -81.85 -53.9 5.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.858 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.662 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 5.4 mm . . . . . 0 C--O 1.23 0.071 0 CA-C-O 121.672 0.748 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.662 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.5 Cg_endo -69.77 -15.3 37.0 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.3 t -62.34 -67.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -74.45 -25.6 59.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.23 -48.97 63.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.066 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.7 p -69.09 -50.16 50.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.8 mt -51.81 -44.2 36.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.04 -46.79 82.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.05 -50.97 65.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.07 -46.86 78.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.8 t -60.45 -53.81 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.9 t -53.27 -47.22 57.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.51 -44.64 98.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.61 -39.96 77.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -60.12 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.7 t -53.72 -58.04 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.62 -49.33 56.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.08 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -57.47 -44.1 84.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.3 mt -64.67 -50.98 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.15 -35.22 64.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -67.4 -61.4 1.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.6 pttt -55.14 -28.31 51.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . 0.643 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 7.5 mm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.599 0.714 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' PRO . . . . . 0.643 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.1 Cg_endo -69.84 -9.77 26.87 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.306 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 78.3 t -67.77 -76.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -65.82 -26.3 67.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.31 -53.21 39.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 82.9 p -64.6 -50.68 66.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 85.1 mt -51.67 -43.39 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.203 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.1 mp -63.16 -44.27 95.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.62 -47.3 79.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.12 83.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.19 -42.73 66.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 85.4 t -62.93 -44.36 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 45.1 t -68.56 -43.21 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.127 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.53 -38.42 91.09 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -58.02 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 90.0 t -57.29 -57.89 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.21 -51.16 46.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -51.8 -43.57 63.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.971 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 11.8 mt -63.19 -51.56 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -55.96 -34.68 65.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -67.81 -62.16 1.54 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -55.28 -27.99 50.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.517 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 2.5 mt . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 121.635 0.731 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.9 Cg_endo -69.72 -25.67 28.56 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.617 2.211 . . . . 0.0 112.355 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.2 -62.34 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.197 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -66.42 -41.94 88.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.17 -51.79 50.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.067 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 97.4 p -64.26 -54.4 33.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 84.9 mt -50.1 -44.55 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.24 -35.27 80.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.78 -52.31 64.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.56 -43.89 89.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.5 t -65.25 -61.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.059 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 80.3 t -47.79 -49.44 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.8 t -67.03 -43.44 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.72 -38.61 95.43 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.552 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.13 -53.94 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.0 t -57.66 -51.97 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.33 -49.37 77.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -60.47 -59.83 4.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.2 mt -54.29 -52.3 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.9 -59.46 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -63.88 -23.74 67.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -61.57 -51.5 68.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . 0.524 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 2.2 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.602 0.715 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.3 Cg_endo -69.77 -28.4 25.23 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.747 2.298 . . . . 0.0 112.259 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.08 -66.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -60.95 -37.11 81.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -51.67 -56.04 15.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 90.2 p -65.27 -52.82 51.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 86.1 mt -48.42 -46.6 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.76 -37.92 89.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.17 86.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.17 -46.68 76.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 15.5 t -63.62 -58.58 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 95.4 t -47.41 -52.09 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.22 -43.47 91.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.95 -36.23 89.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.524 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.97 -55.31 5.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.771 0.32 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 95.3 t -57.05 -48.0 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.06 -53.69 51.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -54.39 -52.67 60.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 18.9 mt -62.36 -57.08 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.18 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -50.61 -59.16 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.17 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -53.01 -33.5 52.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -54.34 -47.6 72.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.621 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 4.9 mm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.614 0.721 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.6 Cg_endo -69.8 -37.9 8.44 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.617 2.212 . . . . 0.0 112.38 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.1 t -52.21 -62.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.185 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -65.99 -40.63 91.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.71 -53.56 45.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -62.49 -54.94 32.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.6 mt -50.35 -44.0 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.97 -37.68 88.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.27 -57.45 11.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.81 -42.31 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.35 -58.55 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.6 t -53.28 -46.09 56.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.062 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.4 t -62.31 -42.6 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.26 -41.9 97.03 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.517 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.76 -52.96 15.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.4 t -58.81 -57.77 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.1 -57.66 8.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -49.85 -67.97 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.0 mt -49.25 -56.06 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.89 -61.44 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -60.7 -22.61 64.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -46.73 64.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.7 mtp85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . 0.64 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 7.8 mm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.621 0.724 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.5 Cg_endo -69.76 -38.12 8.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.659 2.239 . . . . 0.0 112.323 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 96.7 t -51.88 -63.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -65.38 -40.31 93.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.74 -54.01 39.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 3.5 m -62.48 -54.98 32.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 89.5 mt -50.22 -43.68 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.27 -41.97 97.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.21 -48.83 80.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.068 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.15 -39.79 79.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 1.1 t -73.07 -39.6 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.19 -42.26 87.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 49.0 t -71.43 -41.47 73.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.175 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.15 -39.14 96.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -54.01 15.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.861 0.362 . . . . 0.0 110.924 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 79.9 t -61.73 -57.51 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.39 -61.25 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -46.95 -70.29 0.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 19.6 mt -46.92 -57.82 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -46.25 -64.92 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -55.31 -25.24 33.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -43.97 66.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 56.3 mtp85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.85 0.357 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.2 p -133.37 105.25 6.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -135.97 171.6 14.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.92 163.27 25.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.508 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 49.8 p -56.08 -53.48 56.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 111.147 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.51 176.82 11.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.9 t70 56.14 27.22 11.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.4 -45.45 3.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pp -96.61 -17.79 20.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.9 OUTLIER -50.46 -57.46 13.02 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.665 0.745 . . . . 0.0 111.128 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.8 Cg_endo -69.79 -22.55 31.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.3 t -66.15 -61.22 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -61.7 -41.32 97.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.05 -54.78 30.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.072 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.8 m -61.14 -54.44 44.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.6 mt -50.54 -44.18 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.15 -38.08 87.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.04 -56.37 19.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.91 -43.15 63.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.59 -57.66 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.3 t -54.43 -45.53 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.8 t -63.19 -41.34 92.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.99 -40.86 99.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -50.08 27.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.8 t -61.8 -56.32 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.54 -56.45 16.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -49.98 -66.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.3 mt -50.84 -54.98 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.94 -61.74 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -61.04 -22.66 64.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.66 -23.35 42.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -51.23 7.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -59.63 -24.77 64.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -59.78 -22.99 62.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.2 m -81.67 -1.27 46.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 t 62.25 28.67 17.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -91.13 105.74 18.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -82.25 144.88 30.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -162.54 151.28 14.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -64.16 117.97 7.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 11.1 p -133.03 104.09 6.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -137.15 172.95 12.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.38 161.39 21.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 49.2 p -57.88 -60.02 4.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 111.175 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -160.77 176.94 10.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.139 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 t70 54.65 27.24 8.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.11 -49.86 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 pp -104.27 -19.71 14.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . 0.535 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 0.9 OUTLIER -50.24 -57.36 13.07 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.665 0.745 . . . . 0.0 111.167 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 54.0 Cg_endo -69.72 -22.33 32.42 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.329 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 93.1 t -66.16 -63.98 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -66.15 -40.28 90.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.59 -55.6 24.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.135 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 13.9 m -60.34 -54.93 39.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 89.3 mt -50.99 -43.15 25.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -60.28 -42.04 94.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.48 81.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.8 -37.83 74.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.078 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.24 -44.04 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 85.9 t -63.49 -43.48 98.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 58.9 t -70.67 -41.56 77.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.61 -38.75 96.37 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.2 -52.36 19.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 85.0 t -62.57 -56.21 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.11 -59.43 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -47.38 -69.11 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 20.7 mt -48.9 -53.79 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.164 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -48.18 -68.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -56.94 -22.09 35.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -23.93 44.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -49.93 7.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -58.12 -23.23 54.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -59.29 -23.03 62.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 63.6 m -85.23 3.81 37.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 3.1 t 61.54 26.9 16.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -91.83 104.77 17.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -83.03 143.88 30.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -162.92 149.96 12.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -64.55 118.33 8.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.1 mtp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.817 0.341 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -105.88 -68.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.06 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 59.5 mtt85 58.88 40.35 22.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.61 120.68 9.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -155.84 132.23 10.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 111.153 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.4 p -111.81 128.49 56.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -130.84 42.83 3.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 m120 63.19 26.93 15.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -78.87 -20.32 49.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.514 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -50.34 -57.82 11.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.694 0.759 . . . . 0.0 111.125 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.6 Cg_endo -69.73 -28.87 24.85 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.367 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.6 t -62.87 -62.24 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -64.59 -41.54 96.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.64 -53.27 40.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.085 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.5 m -62.47 -54.27 42.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 90.5 mt -50.45 -43.97 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.6 -37.24 86.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.4 -58.06 9.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.09 -46.01 61.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.9 t -59.89 -55.14 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.11 -42.65 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.87 -41.9 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.065 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.17 -42.6 99.84 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.422 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.89 -48.76 43.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.57 -58.43 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.82 -55.12 21.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -51.4 -67.88 0.21 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.5 mt -50.31 -57.34 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.83 -61.23 1.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -58.9 -25.63 63.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -67.44 -51.77 47.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.951 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -32.12 68.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -67.57 -24.82 65.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -61.38 -25.96 67.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.0 m -82.66 -1.29 50.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.3 m 55.17 37.97 29.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -99.91 137.47 38.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -154.6 123.98 6.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -95.24 -68.45 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -85.09 113.47 21.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 36.5 mtp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.815 0.34 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 1.1 p -105.14 -68.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.086 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 58.52 43.59 19.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.01 118.94 10.08 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 8.9 t -158.38 133.98 8.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 111.186 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 39.2 p -109.59 122.7 48.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -138.53 46.84 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 7.4 m120 63.98 25.78 13.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -79.07 -20.16 49.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . 0.516 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 0.8 OUTLIER -49.56 -57.64 11.44 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.579 0.704 . . . . 0.0 111.127 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.8 Cg_endo -69.78 -28.83 24.66 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.686 2.258 . . . . 0.0 112.349 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 94.8 t -65.03 -63.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -62.68 -38.63 91.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.96 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.49 -54.59 30.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.091 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 5.4 m -63.59 -54.0 42.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.795 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 90.4 mt -49.89 -44.2 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.02 -42.25 98.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.61 -49.89 74.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.29 -40.93 83.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.05 -37.52 67.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 70.1 t -69.16 -40.55 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 51.8 t -70.85 -42.28 77.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.23 -41.15 99.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -50.89 34.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 110.926 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 90.6 t -63.0 -59.2 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -49.96 -59.07 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -48.45 -71.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 25.6 mt -47.0 -56.69 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.091 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -46.43 -65.0 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -56.76 -24.53 50.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -69.58 -52.43 26.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -33.29 71.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 71.6 t-105 -70.5 -25.99 63.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -64.17 -27.96 69.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 37.4 m -85.17 3.49 38.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 25.2 m 51.59 37.04 18.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -99.71 138.72 36.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -153.61 123.84 7.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -95.15 -68.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -84.34 113.08 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.8 p -137.58 155.26 49.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -164.32 170.59 15.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.94 128.94 1.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.3 m -72.53 -71.51 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.35 . . . . 0.0 111.171 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.7 p -146.54 122.75 10.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.14 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -122.09 37.27 4.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 59.99 21.63 10.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.5 mt -87.86 -5.46 58.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 2.4 mt -51.2 -57.4 14.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 111.217 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 54.1 Cg_endo -69.71 -39.82 6.14 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.72 2.28 . . . . 0.0 112.372 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.4 t -53.67 -58.57 3.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.187 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -55.85 -40.95 73.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.13 -55.28 25.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -61.41 -54.82 38.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.9 mt -50.26 -44.06 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.96 -37.01 85.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.79 -57.53 10.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.75 -42.26 62.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.47 -58.56 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.177 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.7 t -53.29 -45.59 56.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.4 t -62.74 -42.86 97.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.71 -40.81 95.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.75 -54.69 8.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.9 t -57.26 -55.65 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.102 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.87 -57.98 8.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -49.14 -67.42 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.2 mt -49.73 -50.29 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.4 -61.63 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.051 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -65.5 -22.66 66.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.8 -49.52 77.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -42.48 22.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -63.2 -21.62 66.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -58.92 -22.64 60.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.4 m -81.69 -1.76 48.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 t 50.6 72.88 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -147.64 133.86 19.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -89.17 140.96 28.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -155.02 152.14 29.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -51.77 126.44 17.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.797 0.332 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 23.8 p -137.14 155.2 49.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.177 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -164.07 171.19 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 155.62 129.57 1.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 90.1 m -70.18 -71.04 0.26 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.86 0.362 . . . . 0.0 111.158 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 81.4 p -146.38 122.24 10.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -126.74 38.61 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 5.9 m120 62.43 21.28 12.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 24.4 mt -88.34 -5.49 58.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . 0.521 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 2.2 mt -50.94 -57.4 13.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.613 0.72 . . . . 0.0 111.103 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 54.2 Cg_endo -69.75 -41.84 3.93 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 0.0 112.389 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 29.5 t -54.55 -58.91 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -56.66 -39.98 74.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.69 -54.88 27.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 81.1 p -61.71 -55.09 34.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 91.2 mt -49.96 -43.88 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.178 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.53 -40.53 94.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.99 75.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.91 -38.76 76.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 1.2 t -73.49 -41.32 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.105 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 74.4 t -66.44 -42.09 89.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 56.8 t -71.27 -41.57 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.87 -38.81 95.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.434 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.84 -54.82 10.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.33 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 92.3 t -60.61 -56.44 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.32 -60.12 3.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -47.41 -70.31 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 15.6 mt -47.2 -53.1 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -48.81 -63.76 1.0 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -58.27 -25.95 62.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.27 -48.17 82.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -41.36 28.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -63.21 -19.42 64.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -60.96 -18.56 57.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 58.2 m -83.85 2.89 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 6.2 t 58.52 85.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -137.51 132.72 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -88.44 141.24 28.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -155.28 151.32 27.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -52.47 126.33 19.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.809 0.338 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.4 p -142.29 148.48 38.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.103 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -118.72 177.84 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.99 -132.65 11.23 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -155.44 134.78 12.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.4 m -72.05 -4.39 28.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -59.12 119.34 7.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m120 68.91 10.06 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 mt -98.31 -0.26 44.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.613 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 2.0 mm -52.8 -51.91 69.65 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.587 0.708 . . . . 0.0 111.144 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.4 Cg_endo -69.77 -46.44 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.648 2.232 . . . . 0.0 112.309 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -50.0 -62.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -59.8 -43.22 94.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.77 -54.11 38.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.9 p -62.39 -54.47 39.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.8 mt -50.64 -43.58 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -59.07 -48.32 82.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.04 -48.26 73.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.98 -43.38 77.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.9 t -62.85 -58.18 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.4 t -50.13 -50.45 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.192 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.5 t -60.75 -44.29 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.3 -39.36 82.11 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.9 -59.68 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.5 t -53.72 -58.35 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.86 -50.12 57.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -54.74 -44.13 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.4 mt -63.57 -50.08 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.77 -40.02 78.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.029 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -72.01 -25.98 62.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -82.77 -25.64 32.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -80.53 -46.01 16.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -57.28 -28.46 63.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -71.85 -26.32 62.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -85.93 -1.29 57.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.826 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.1 m 53.4 37.59 25.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -54.96 138.38 43.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -58.81 -29.17 66.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -69.04 104.65 2.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -91.1 -48.54 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.895 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.906 0.384 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 44.7 p -139.65 148.39 42.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.241 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -117.61 -179.55 3.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.834 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 84.82 -139.34 17.75 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.509 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 1.6 p -157.5 135.07 10.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 111.183 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 10.8 m -72.94 -7.24 50.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -55.28 121.45 8.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.7 m120 64.28 15.45 9.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 14.8 mt -118.64 25.99 9.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . 0.624 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 3.8 mm -66.01 -51.57 45.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.589 0.709 . . . . 0.0 111.121 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 54.6 Cg_endo -69.65 -42.65 3.32 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.706 2.27 . . . . 0.0 112.399 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 97.8 t -51.78 -62.32 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -62.58 -42.04 99.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.87 -54.02 40.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.103 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 6.0 p -62.45 -56.11 21.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 90.3 mt -49.61 -43.69 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.47 -49.74 76.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.08 -49.34 69.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.18 -44.81 71.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 15.0 t -62.77 -58.24 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 85.4 t -49.86 -50.61 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 49.9 t -61.14 -44.06 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.168 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -56.43 -39.33 83.46 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.61 -59.73 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.94 0.4 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 96.7 t -54.49 -58.25 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.5 -49.28 55.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -54.7 -44.55 73.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 10.5 mt -63.52 -50.18 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.13 -39.17 81.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -71.13 -26.5 63.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -82.42 -26.47 32.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -82.29 -45.72 14.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.815 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -56.97 -28.63 62.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -72.28 -28.46 63.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 2.8 t -88.03 4.22 45.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 10.4 m 53.3 36.08 21.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -56.48 137.68 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -59.53 -29.16 67.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -69.18 105.33 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -90.77 -48.46 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.827 0.346 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 p -55.65 116.28 2.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -124.05 141.38 52.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.43 35.55 2.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p -142.09 106.92 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 111.155 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -44.87 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 t0 54.41 35.61 23.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.2 m120 53.2 40.74 31.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.7 mt -92.37 -13.65 29.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.541 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 3.0 mt -53.94 -56.96 20.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 111.174 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.9 Cg_endo -69.8 -30.47 22.02 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.7 t -54.62 -63.1 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -70.26 -39.99 74.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.39 -52.74 60.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.8 m -63.04 -54.77 32.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 86.1 mt -51.17 -43.78 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.37 -48.21 81.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.62 -51.57 66.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.82 -45.98 64.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.35 -61.55 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.7 t -50.11 -49.81 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.4 t -61.26 -41.05 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.183 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.68 -39.7 96.98 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.582 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.29 -52.7 15.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.327 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.17 -55.39 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.61 -58.35 7.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.18 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -48.24 -67.26 0.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.0 mt -50.11 -54.49 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.63 -61.14 2.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.012 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -61.29 -22.6 65.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -69.52 -43.92 72.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.962 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.8 mtp85 -85.12 -31.46 23.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -57.4 -32.15 66.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -59.24 -43.57 92.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -92.79 -1.17 57.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.8 m -142.16 100.83 3.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.794 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -26.97 48.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -81.74 156.45 24.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -112.78 -27.68 8.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.21 -44.07 64.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 2.3 mmt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 1.2 p -55.28 116.38 2.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -123.74 142.04 51.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.23 33.74 2.28 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.517 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 2.6 p -144.01 104.68 4.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.906 0.384 . . . . 0.0 111.145 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -44.91 -75.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.199 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 t0 51.49 35.29 14.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 10.6 m120 52.47 38.88 26.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 63.7 mt -92.77 -14.38 27.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . 0.524 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 3.0 mt -51.25 -57.43 14.08 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.633 0.73 . . . . 0.0 111.212 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.3 Cg_endo -69.86 -32.6 17.86 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.663 2.242 . . . . 0.0 112.36 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 69.3 t -53.34 -67.98 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -64.31 -39.34 93.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.6 -54.78 32.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 66.6 m -61.78 -54.85 36.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 89.2 mt -50.62 -43.84 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -58.64 -47.25 85.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.31 -51.37 68.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.061 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.17 -45.79 65.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 16.8 t -62.48 -61.45 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 60.5 t -50.04 -49.88 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.37 -41.0 88.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.71 -40.49 98.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.31 -52.63 17.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 77.6 t -60.39 -56.91 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.0 -58.4 6.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -48.27 -70.06 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.918 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 14.4 mt -47.85 -52.9 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.123 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -47.75 -63.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -61.41 -19.22 61.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -72.5 -44.98 61.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 32.2 mtp85 -85.59 -30.44 23.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 15.5 t-105 -56.74 -31.09 64.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -58.28 -43.83 88.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 2.4 t -93.17 4.11 54.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 67.8 m -142.48 100.84 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -26.48 50.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -81.76 156.31 25.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -112.89 -27.64 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.09 -43.99 64.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.919 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mtt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.811 0.339 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m -133.68 150.19 51.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -127.74 153.58 46.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.71 108.69 0.35 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.4 t -67.64 -24.52 65.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.4 m -55.87 -24.32 36.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.81 -24.69 23.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -108.65 -18.51 13.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.9 mt -82.4 -7.0 59.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.511 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -54.39 -58.03 15.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.71 . . . . 0.0 111.137 179.832 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 54.2 Cg_endo -69.73 -41.33 4.41 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.259 . . . . 0.0 112.331 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -51.72 -53.34 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -62.73 -41.72 99.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.37 -52.17 48.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.054 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -53.28 55.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.7 mt -50.6 -43.73 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.37 -44.75 96.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.01 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.53 -55.28 35.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.9 -43.88 63.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.1 -55.21 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.3 t -53.55 -45.56 59.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.54 -44.0 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.26 -39.93 83.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.29 -58.71 3.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.6 t -54.88 -58.53 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.227 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.35 -48.2 55.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -58.41 -42.5 87.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.8 mt -66.35 -52.03 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.35 -37.78 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -71.49 -51.21 24.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.89 -55.16 21.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -57.46 -38.36 74.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -65.47 -34.95 79.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -60.99 -41.04 95.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.7 m -88.29 -1.27 57.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.6 t -90.08 145.07 25.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.08 -26.23 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -57.74 150.3 20.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -140.0 173.3 11.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.0 157.3 43.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.899 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 5.8 mtt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 3.0 m -134.07 149.83 51.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -128.21 150.74 49.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.827 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -166.34 107.99 0.3 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 10.3 t -67.84 -29.38 68.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.9 0.381 . . . . 0.0 111.181 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 2.4 m -59.34 -21.73 60.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -19.55 53.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -92.03 5.73 49.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 42.5 mt 47.38 32.16 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . 0.53 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 1.4 mt -53.89 -57.52 17.37 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.59 0.71 . . . . 0.0 111.163 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 54.4 Cg_endo -69.71 -40.51 5.32 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.662 2.241 . . . . 0.0 112.409 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 39.8 t -50.99 -54.96 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -64.54 -41.89 96.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -51.43 -52.9 42.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.15 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -54.09 43.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 88.8 mt -50.69 -43.13 23.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.56 -43.43 98.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.98 -51.18 70.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.252 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.82 -36.43 72.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.072 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -73.36 -44.01 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.97 -42.59 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 42.4 t -69.39 -43.09 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.187 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.72 -38.34 91.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -57.46 4.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 91.3 t -57.86 -57.95 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.08 -51.06 45.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -52.01 -41.18 62.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 13.1 mt -65.4 -52.82 47.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -53.1 -38.29 62.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -71.52 -51.83 21.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.99 -55.57 22.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -57.82 -37.77 74.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 52.4 t90 -64.97 -34.59 78.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -60.6 -41.59 95.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 36.5 m -88.38 4.23 47.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 11.7 t -90.06 145.37 25.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.68 -26.25 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -57.98 150.4 20.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -140.05 173.16 11.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -145.95 157.34 43.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.956 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.919 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.921 0.391 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.12 106.51 3.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -142.6 105.21 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.05 96.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 p -149.65 129.57 13.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 111.068 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 177.98 171.12 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.15 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 t70 64.77 43.01 4.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.17 -50.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.2 mt -88.43 -11.91 44.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -52.45 -57.33 15.98 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 0.0 111.157 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 54.5 Cg_endo -69.8 -33.52 16.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.252 . . . . 0.0 112.373 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.8 t -51.59 -61.03 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -59.88 -43.24 94.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.06 -53.98 35.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.5 p -61.72 -53.18 59.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.2 mt -51.06 -43.42 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.74 -41.88 98.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.942 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.43 -55.86 29.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.079 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.55 -43.19 62.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.01 -56.66 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.6 t -52.67 -46.32 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.61 -43.64 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.77 -39.67 87.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.546 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -57.39 4.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 85.0 t -55.62 -57.3 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.58 -55.06 17.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -50.06 -65.7 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.2 mt -50.13 -54.4 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.27 -27.29 34.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -84.97 -27.57 26.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 tttm -81.4 -53.75 6.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -52.78 -51.38 60.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 66.6 t-105 -55.27 -31.17 61.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -69.49 -25.64 64.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.8 t -84.5 -1.34 55.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 t 60.24 39.11 19.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.6 114.83 27.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -110.66 139.76 45.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -148.31 164.86 32.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -63.87 -50.09 70.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.879 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.88 0.372 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.94 107.96 4.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -140.47 106.09 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 65.85 93.71 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 1.7 p -153.33 128.96 10.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.151 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.09 174.35 0.27 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 t70 67.05 22.22 10.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -165.98 -44.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 13.2 mt -88.09 9.75 21.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 0.9 OUTLIER -48.95 -57.36 11.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.679 0.752 . . . . 0.0 111.122 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.1 Cg_endo -69.77 -34.03 15.37 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 94.8 t -53.04 -62.15 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -60.77 -41.43 95.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -51.6 -54.74 24.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 59.6 p -60.99 -54.37 45.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 89.5 mt -50.54 -43.12 22.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.35 -41.86 97.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.89 -52.68 64.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.084 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.23 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.69 -45.64 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 97.4 t -61.93 -42.18 93.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 44.1 t -69.53 -43.16 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.057 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.64 -37.91 90.35 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.33 -57.56 4.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.894 0.378 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 81.2 t -57.6 -56.18 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.37 -57.0 10.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -48.8 -65.8 0.51 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 9.9 mt -49.86 -54.49 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -54.03 -26.92 28.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -86.51 -26.54 24.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -81.85 -53.9 5.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -52.06 -51.76 55.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -57.23 -32.2 66.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -69.26 -26.77 64.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 3.8 t -85.59 4.04 37.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 3.3 t 59.06 38.21 24.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.35 114.92 27.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -110.97 139.36 46.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -148.34 164.91 32.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -64.11 -50.04 69.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.973 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.971 179.852 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mtt . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.874 0.369 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -130.84 164.17 25.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -60.98 164.37 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.6 81.81 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.451 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.7 t -55.7 -40.6 72.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.933 0.396 . . . . 0.0 111.173 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -67.19 -67.05 0.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 t0 51.09 30.44 5.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 m120 51.56 56.0 8.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.935 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.32 -1.47 58.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.662 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 5.4 mm -64.79 -50.2 65.01 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.672 0.748 . . . . 0.0 111.096 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.662 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.5 Cg_endo -69.77 -15.3 37.0 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.3 t -62.34 -67.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -74.45 -25.6 59.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.23 -48.97 63.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.066 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.7 p -69.09 -50.16 50.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.8 mt -51.81 -44.2 36.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.04 -46.79 82.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.05 -50.97 65.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.07 -46.86 78.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.8 t -60.45 -53.81 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.9 t -53.27 -47.22 57.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.51 -44.64 98.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.61 -39.96 77.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -60.12 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.7 t -53.72 -58.04 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.62 -49.33 56.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.08 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -57.47 -44.1 84.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.3 mt -64.67 -50.98 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.15 -35.22 64.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -67.4 -61.4 1.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.6 pttt -55.14 -28.31 51.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -76.29 -33.71 59.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 21.9 t90 -51.96 -30.76 26.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -70.14 -36.84 75.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.797 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -85.33 -1.34 56.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -95.8 121.66 37.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.29 -28.17 8.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -71.52 151.18 44.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -104.55 139.5 39.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.87 134.41 39.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.905 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.0 mtt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.85 0.357 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 1.3 p -131.58 163.82 27.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -61.93 164.81 6.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 54.05 83.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.466 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 4.4 t -54.04 -40.79 67.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 111.171 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 1.4 m -67.93 -66.22 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 17.2 t0 51.52 30.75 6.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 7.5 m120 51.99 53.6 12.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.57 6.87 41.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.007 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . 0.643 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 7.5 mm -67.85 -50.36 33.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.599 0.714 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' PRO . . . . . 0.643 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.1 Cg_endo -69.84 -9.77 26.87 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.306 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 78.3 t -67.77 -76.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -65.82 -26.3 67.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.31 -53.21 39.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 82.9 p -64.6 -50.68 66.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 85.1 mt -51.67 -43.39 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.203 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.1 mp -63.16 -44.27 95.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.62 -47.3 79.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.12 83.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.19 -42.73 66.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 85.4 t -62.93 -44.36 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 45.1 t -68.56 -43.21 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.127 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.53 -38.42 91.09 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -58.02 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 90.0 t -57.29 -57.89 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.21 -51.16 46.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -51.8 -43.57 63.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.971 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 11.8 mt -63.19 -51.56 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -55.96 -34.68 65.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -67.81 -62.16 1.54 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -55.28 -27.99 50.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -76.13 -33.28 59.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 22.3 t90 -52.08 -31.44 30.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -70.48 -37.5 74.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 3.2 t -85.98 4.19 38.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 8.2 t -95.7 121.49 37.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.54 -28.32 7.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -71.91 151.32 43.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.941 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -104.5 139.64 39.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.93 134.3 38.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.878 0.37 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -156.14 136.51 13.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -88.02 -26.2 22.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.7 165.77 32.49 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.527 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.5 m -158.24 90.31 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 111.128 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 71.59 3.27 4.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -49.94 -38.65 37.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -172.16 30.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.57 -13.08 55.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.957 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.517 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 2.5 mt -53.6 -57.56 16.72 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.635 0.731 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.9 Cg_endo -69.72 -25.67 28.56 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.617 2.211 . . . . 0.0 112.355 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.2 -62.34 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.197 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -66.42 -41.94 88.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.17 -51.79 50.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.067 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 97.4 p -64.26 -54.4 33.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 84.9 mt -50.1 -44.55 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.24 -35.27 80.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.78 -52.31 64.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.56 -43.89 89.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.5 t -65.25 -61.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.059 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 80.3 t -47.79 -49.44 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.8 t -67.03 -43.44 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.72 -38.61 95.43 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.552 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.13 -53.94 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.0 t -57.66 -51.97 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.33 -49.37 77.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -60.47 -59.83 4.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.2 mt -54.29 -52.3 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.9 -59.46 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -63.88 -23.74 67.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -61.57 -51.5 68.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -85.6 -33.83 21.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 31.2 t-105 -58.71 -22.18 56.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -59.61 -22.02 61.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -84.81 -1.22 56.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m 62.53 54.37 2.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -154.84 119.56 4.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -121.16 -39.65 2.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -170.99 172.6 5.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -158.27 140.64 14.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.819 0.343 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -157.58 137.53 12.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -85.68 -25.21 26.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.17 179.62 2.4 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 6.3 m -144.28 79.16 1.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 111.169 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 71.7 2.84 4.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -50.99 -38.22 49.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.4 33.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 pp -94.86 -10.81 30.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . 0.524 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 2.2 mt -51.05 -57.62 13.2 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.3 Cg_endo -69.77 -28.4 25.23 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.747 2.298 . . . . 0.0 112.259 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.08 -66.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -60.95 -37.11 81.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -51.67 -56.04 15.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 90.2 p -65.27 -52.82 51.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 86.1 mt -48.42 -46.6 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.76 -37.92 89.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.17 86.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.17 -46.68 76.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 15.5 t -63.62 -58.58 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 95.4 t -47.41 -52.09 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.22 -43.47 91.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.95 -36.23 89.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.524 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.97 -55.31 5.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.771 0.32 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 95.3 t -57.05 -48.0 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.06 -53.69 51.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -54.39 -52.67 60.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 18.9 mt -62.36 -57.08 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.18 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -50.61 -59.16 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.17 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -53.01 -33.5 52.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -54.34 -47.6 72.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -86.79 -24.27 25.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 -57.9 -22.2 47.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -59.75 -23.4 63.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 1.4 t -89.37 3.74 51.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 4.4 m 61.57 54.79 2.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -154.2 117.29 4.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -123.3 -40.01 2.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -171.24 174.08 4.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -156.13 140.54 16.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.8 mtp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.819 0.343 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 m -133.06 149.15 52.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.3 ptt85 -167.75 -174.09 2.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.08 -120.44 9.55 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 t -124.77 86.44 2.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 111.082 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.4 m -60.02 -19.66 53.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.189 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -64.93 -17.05 64.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -119.03 -2.59 10.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt -87.43 1.07 54.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.621 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 4.9 mm -45.89 -52.11 27.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.614 0.721 . . . . 0.0 111.132 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.6 Cg_endo -69.8 -37.9 8.44 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.617 2.212 . . . . 0.0 112.38 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.1 t -52.21 -62.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.185 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -65.99 -40.63 91.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.71 -53.56 45.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -62.49 -54.94 32.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.6 mt -50.35 -44.0 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.97 -37.68 88.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.27 -57.45 11.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.81 -42.31 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.35 -58.55 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.6 t -53.28 -46.09 56.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.062 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.4 t -62.31 -42.6 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.26 -41.9 97.03 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.517 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.76 -52.96 15.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.4 t -58.81 -57.77 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.1 -57.66 8.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -49.85 -67.97 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.0 mt -49.25 -56.06 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.89 -61.44 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -60.7 -22.61 64.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -46.73 64.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.7 mtp85 -82.78 -25.45 32.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -75.98 -27.42 57.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -60.08 -27.83 67.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.8 m -92.62 -1.35 56.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.3 p -123.86 115.49 21.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -97.4 155.02 17.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.5 mp0 -140.33 165.81 26.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -89.93 -65.11 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -139.04 125.33 20.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.962 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 80.7 mtp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.836 0.351 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 2.7 m -132.81 150.72 52.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.168 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 13.0 ptt85 -166.08 -177.14 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 67.3 -122.14 17.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 1.7 t -126.91 86.51 2.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 111.12 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -61.79 -17.41 55.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.112 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -66.78 -17.09 64.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -119.17 -5.55 10.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 69.4 mt -95.17 29.67 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . 0.64 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 7.8 mm -63.35 -50.85 72.17 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.621 0.724 . . . . 0.0 111.156 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.5 Cg_endo -69.76 -38.12 8.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.659 2.239 . . . . 0.0 112.323 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 96.7 t -51.88 -63.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -65.38 -40.31 93.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.74 -54.01 39.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 3.5 m -62.48 -54.98 32.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 89.5 mt -50.22 -43.68 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.27 -41.97 97.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.21 -48.83 80.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.068 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.15 -39.79 79.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 1.1 t -73.07 -39.6 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.19 -42.26 87.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 49.0 t -71.43 -41.47 73.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.175 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.15 -39.14 96.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -54.01 15.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.861 0.362 . . . . 0.0 110.924 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 79.9 t -61.73 -57.51 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.39 -61.25 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -46.95 -70.29 0.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 19.6 mt -46.92 -57.82 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -46.25 -64.92 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -55.31 -25.24 33.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -43.97 66.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 56.3 mtp85 -80.92 -26.01 37.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -75.7 -29.25 58.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -61.39 -29.21 69.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 45.5 m -93.66 4.15 54.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 45.5 p -125.06 115.3 20.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -97.13 156.56 16.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 12.5 mp0 -138.99 165.59 26.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -90.06 -65.4 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -139.73 125.31 19.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 121.665 0.745 . . . . 0.0 111.128 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.8 Cg_endo -69.79 -22.55 31.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.3 t -66.15 -61.22 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.508 ' O ' HD23 ' A' ' 17' ' ' LEU . 7.1 m-85 -61.7 -41.32 97.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.05 -54.78 30.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.072 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.8 m -61.14 -54.44 44.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.709 ' O ' HG23 ' A' ' 20' ' ' VAL . 89.6 mt -50.54 -44.18 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.577 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.0 mm? -62.15 -38.08 87.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.649 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -62.04 -56.37 19.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.91 -43.15 63.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 16' ' ' ILE . 48.1 t -63.59 -57.66 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 17' ' ' LEU . 96.3 t -54.43 -45.53 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 18' ' ' ALA . 67.8 t -63.19 -41.34 92.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.99 -40.86 99.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.637 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -72.6 -50.08 27.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 21' ' ' VAL . 88.8 t -61.8 -56.32 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.54 -56.45 16.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -49.98 -66.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.637 HD11 HD23 ' A' ' 24' ' ' LEU . 19.3 mt -50.84 -54.98 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.94 -61.74 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -61.04 -22.66 64.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.66 -23.35 42.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' ILE . . . . . 0.549 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.665 0.745 . . . . 0.0 111.167 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 111' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 54.0 Cg_endo -69.72 -22.33 32.42 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.329 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 93.1 t -66.16 -63.98 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' TYR . . . . . 0.54 ' O ' HD23 ' B' ' 117' ' ' LEU . 7.3 m-85 -66.15 -40.28 90.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.59 -55.6 24.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.135 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 13.9 m -60.34 -54.93 39.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 89.3 mt -50.99 -43.15 25.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.636 ' O ' HG23 ' B' ' 121' ' ' VAL . 2.6 mm? -60.28 -42.04 94.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.601 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -60.62 -48.48 81.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.445 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -57.8 -37.83 74.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.078 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 120' ' ' VAL . . . . . 0.42 HG12 ' N ' ' B' ' 121' ' ' VAL . 0.9 OUTLIER -75.24 -44.04 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.636 HG23 ' O ' ' B' ' 117' ' ' LEU . 85.9 t -63.49 -43.48 98.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.601 HG23 ' O ' ' B' ' 118' ' ' ALA . 58.9 t -70.67 -41.56 77.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.61 -38.75 96.37 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.551 HD23 HD11 ' B' ' 128' ' ' ILE . 0.2 OUTLIER -71.2 -52.36 19.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 110.964 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 121' ' ' VAL . 85.0 t -62.57 -56.21 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.11 -59.43 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -47.38 -69.11 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.551 HD11 HD23 ' B' ' 124' ' ' LEU . 20.7 mt -48.9 -53.79 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.164 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -48.18 -68.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -56.94 -22.09 35.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -23.93 44.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.694 0.759 . . . . 0.0 111.125 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.6 Cg_endo -69.73 -28.87 24.85 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.367 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.6 t -62.87 -62.24 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -64.59 -41.54 96.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.64 -53.27 40.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.085 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.5 m -62.47 -54.27 42.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.692 ' O ' HG23 ' A' ' 20' ' ' VAL . 90.5 mt -50.45 -43.97 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.3 mm? -63.6 -37.24 86.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.681 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -62.4 -58.06 9.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.09 -46.01 61.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 16' ' ' ILE . 57.9 t -59.89 -55.14 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 17' ' ' LEU . 89.1 t -57.11 -42.65 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 18' ' ' ALA . 73.9 t -63.87 -41.9 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.065 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.411 ' HA2' ' HA2' ' B' ' 123' ' ' GLY . . . -61.17 -42.6 99.84 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.422 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.563 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -71.89 -48.76 43.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.897 -179.882 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 21' ' ' VAL . 95.1 t -62.57 -58.43 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.82 -55.12 21.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -51.4 -67.88 0.21 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.563 HD11 HD23 ' A' ' 24' ' ' LEU . 21.5 mt -50.31 -57.34 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.83 -61.23 1.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -58.9 -25.63 63.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -67.44 -51.77 47.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.951 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.579 0.704 . . . . 0.0 111.127 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 111' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.8 Cg_endo -69.78 -28.83 24.66 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.686 2.258 . . . . 0.0 112.349 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 94.8 t -65.03 -63.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -62.68 -38.63 91.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.96 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.49 -54.59 30.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.091 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 5.4 m -63.59 -54.0 42.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.795 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 90.4 mt -49.89 -44.2 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.653 ' O ' HG23 ' B' ' 121' ' ' VAL . 3.0 mm? -62.02 -42.25 98.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.679 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -57.61 -49.89 74.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.432 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -58.29 -40.93 83.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.05 -37.52 67.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 117' ' ' LEU . 70.1 t -69.16 -40.55 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.679 HG23 ' O ' ' B' ' 118' ' ' ALA . 51.8 t -70.85 -42.28 77.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 123' ' ' GLY . . . . . 0.411 ' HA2' ' HA2' ' A' ' 23' ' ' GLY . . . -62.23 -41.15 99.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.531 ' O ' HD12 ' B' ' 128' ' ' ILE . 0.1 OUTLIER -70.34 -50.89 34.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 110.926 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.52 HG23 ' O ' ' B' ' 121' ' ' VAL . 90.6 t -63.0 -59.2 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -49.96 -59.07 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -48.45 -71.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.531 HD12 ' O ' ' B' ' 124' ' ' LEU . 25.6 mt -47.0 -56.69 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.091 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -46.43 -65.0 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -56.76 -24.53 50.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -69.58 -52.43 26.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.543 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 2.4 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.639 0.733 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 54.1 Cg_endo -69.71 -39.82 6.14 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.72 2.28 . . . . 0.0 112.372 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.4 t -53.67 -58.57 3.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.187 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.501 ' O ' HD23 ' A' ' 17' ' ' LEU . 5.6 m-85 -55.85 -40.95 73.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.13 -55.28 25.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -61.41 -54.82 38.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.692 ' O ' HG23 ' A' ' 20' ' ' VAL . 89.9 mt -50.26 -44.06 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.607 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.9 mm? -62.96 -37.01 85.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.633 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -62.79 -57.53 10.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.75 -42.26 62.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 16' ' ' ILE . 60.5 t -65.47 -58.56 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.177 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 17' ' ' LEU . 89.7 t -53.29 -45.59 56.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 18' ' ' ALA . 99.4 t -62.74 -42.86 97.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.71 -40.81 95.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.792 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -72.75 -54.69 8.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 0.0 110.91 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 21' ' ' VAL . 89.9 t -57.26 -55.65 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.102 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.87 -57.98 8.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -49.14 -67.42 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.792 HD11 HD23 ' A' ' 24' ' ' LEU . 11.2 mt -49.73 -50.29 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.4 -61.63 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.051 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -65.5 -22.66 66.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.8 -49.52 77.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' ILE . . . . . 0.534 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 2.2 mt . . . . . 0 C--O 1.232 0.183 0 CA-C-O 121.613 0.72 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 54.2 Cg_endo -69.75 -41.84 3.93 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 0.0 112.389 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 29.5 t -54.55 -58.91 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' TYR . . . . . 0.528 ' O ' HD23 ' B' ' 117' ' ' LEU . 5.8 m-85 -56.66 -39.98 74.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.69 -54.88 27.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 81.1 p -61.71 -55.09 34.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 91.2 mt -49.96 -43.88 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.178 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.629 ' O ' HG23 ' B' ' 121' ' ' VAL . 2.9 mm? -61.53 -40.53 94.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.636 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -60.16 -49.99 75.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.456 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -57.91 -38.76 76.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 1.2 t -73.49 -41.32 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.105 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 117' ' ' LEU . 74.4 t -66.44 -42.09 89.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.636 HG23 ' O ' ' B' ' 118' ' ' ALA . 56.8 t -71.27 -41.57 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.87 -38.81 95.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.434 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.637 HD23 HD11 ' B' ' 128' ' ' ILE . 0.2 OUTLIER -70.84 -54.82 10.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.33 . . . . 0.0 110.876 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 92.3 t -60.61 -56.44 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.32 -60.12 3.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -47.41 -70.31 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.637 HD11 HD23 ' B' ' 124' ' ' LEU . 15.6 mt -47.2 -53.1 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -48.81 -63.76 1.0 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -58.27 -25.95 62.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.27 -48.17 82.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.627 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 2.0 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.587 0.708 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.627 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.4 Cg_endo -69.77 -46.44 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.648 2.232 . . . . 0.0 112.309 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -50.0 -62.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.55 ' O ' HD13 ' A' ' 17' ' ' LEU . 4.0 m-85 -59.8 -43.22 94.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.77 -54.11 38.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.9 p -62.39 -54.47 39.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.738 ' O ' HG23 ' A' ' 20' ' ' VAL . 88.8 mt -50.64 -43.58 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.55 HD13 ' O ' ' A' ' 13' ' ' TYR . 6.0 mp -59.07 -48.32 82.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -55.04 -48.26 73.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.589 ' HB1' ' HA ' ' B' ' 120' ' ' VAL . . . -55.98 -43.38 77.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 16' ' ' ILE . 16.9 t -62.85 -58.18 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.4 t -50.13 -50.45 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.192 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 18' ' ' ALA . 51.5 t -60.75 -44.29 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.3 -39.36 82.11 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.9 -59.68 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.46 ' HA ' HD12 ' A' ' 28' ' ' ILE . 92.5 t -53.72 -58.35 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.632 ' HB1' ' HB1' ' B' ' 126' ' ' ALA . . . -50.86 -50.12 57.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -54.74 -44.13 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 25' ' ' VAL . 10.4 mt -63.57 -50.08 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.77 -40.02 78.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.029 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -72.01 -25.98 62.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -82.77 -25.64 32.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 110' ' ' ILE . . . . . 0.634 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 3.8 mm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.589 0.709 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 54.6 Cg_endo -69.65 -42.65 3.32 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.706 2.27 . . . . 0.0 112.399 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 97.8 t -51.78 -62.32 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' TYR . . . . . 0.545 ' O ' HD13 ' B' ' 117' ' ' LEU . 5.3 m-85 -62.58 -42.04 99.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.87 -54.02 40.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.103 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 6.0 p -62.45 -56.11 21.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' ILE . . . . . 0.732 ' O ' HG23 ' B' ' 120' ' ' VAL . 90.3 mt -49.61 -43.69 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.545 HD13 ' O ' ' B' ' 113' ' ' TYR . 5.8 mp -58.47 -49.74 76.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.633 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -54.08 -49.34 69.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.614 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -54.18 -44.81 71.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 120' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 116' ' ' ILE . 15.0 t -62.77 -58.24 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 85.4 t -49.86 -50.61 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.633 HG23 ' O ' ' B' ' 118' ' ' ALA . 49.9 t -61.14 -44.06 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.168 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -56.43 -39.33 83.46 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.61 -59.73 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.94 0.4 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.465 ' HA ' HD12 ' B' ' 128' ' ' ILE . 96.7 t -54.49 -58.25 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 126' ' ' ALA . . . . . 0.632 ' HB1' ' HB1' ' A' ' 26' ' ' ALA . . . -50.5 -49.28 55.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -54.7 -44.55 73.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' B' ' 125' ' ' VAL . 10.5 mt -63.52 -50.18 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.13 -39.17 81.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -71.13 -26.5 63.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -82.42 -26.47 32.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.815 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.554 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 3.0 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.597 0.713 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.9 Cg_endo -69.8 -30.47 22.02 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.7 t -54.62 -63.1 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.43 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.8 m-85 -70.26 -39.99 74.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.39 -52.74 60.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.8 m -63.04 -54.77 32.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.731 ' O ' HG23 ' A' ' 20' ' ' VAL . 86.1 mt -51.17 -43.78 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.096 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 13' ' ' TYR . 2.4 mm? -58.37 -48.21 81.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -55.62 -51.57 66.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.407 ' CB ' HG13 ' B' ' 120' ' ' VAL . . . -51.82 -45.98 64.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 16' ' ' ILE . 17.0 t -62.35 -61.55 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.7 t -50.11 -49.81 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 18' ' ' ALA . 99.4 t -61.26 -41.05 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.183 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.68 -39.7 96.98 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.582 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.689 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -72.29 -52.7 15.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.327 . . . . 0.0 110.918 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.17 -55.39 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.61 -58.35 7.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.18 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -48.24 -67.26 0.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.689 HD11 HD23 ' A' ' 24' ' ' LEU . 14.0 mt -50.11 -54.49 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.63 -61.14 2.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.012 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -61.29 -22.6 65.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -69.52 -43.92 72.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.962 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.8 mtp85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.893 179.905 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 110' ' ' ILE . . . . . 0.534 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 3.0 mt . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 121.633 0.73 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 111' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.3 Cg_endo -69.86 -32.6 17.86 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.663 2.242 . . . . 0.0 112.36 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 69.3 t -53.34 -67.98 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' TYR . . . . . 0.415 ' O ' HD23 ' B' ' 117' ' ' LEU . 87.5 m-85 -64.31 -39.34 93.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.6 -54.78 32.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 66.6 m -61.78 -54.85 36.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' ILE . . . . . 0.725 ' O ' HG23 ' B' ' 120' ' ' VAL . 89.2 mt -50.62 -43.84 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.415 HD23 ' O ' ' B' ' 113' ' ' TYR . 2.3 mm? -58.64 -47.25 85.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.569 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -56.31 -51.37 68.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.061 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.17 -45.79 65.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' VAL . . . . . 0.725 HG23 ' O ' ' B' ' 116' ' ' ILE . 16.8 t -62.48 -61.45 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 60.5 t -50.04 -49.88 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.569 HG23 ' O ' ' B' ' 118' ' ' ALA . 98.3 t -61.37 -41.0 88.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.09 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.71 -40.49 98.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.705 HD23 HD11 ' B' ' 128' ' ' ILE . 0.2 OUTLIER -71.31 -52.63 17.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 110.944 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 77.6 t -60.39 -56.91 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.0 -58.4 6.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -48.27 -70.06 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.918 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.705 HD11 HD23 ' B' ' 124' ' ' LEU . 14.4 mt -47.85 -52.9 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -47.75 -63.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -61.41 -19.22 61.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -72.5 -44.98 61.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 32.2 mtp85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.59 0.71 . . . . 0.0 111.137 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 54.2 Cg_endo -69.73 -41.33 4.41 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.259 . . . . 0.0 112.331 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -51.72 -53.34 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.479 ' O ' HD13 ' A' ' 17' ' ' LEU . 6.4 m-85 -62.73 -41.72 99.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.37 -52.17 48.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.054 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -53.28 55.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.726 ' O ' HG23 ' A' ' 20' ' ' VAL . 89.7 mt -50.6 -43.73 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.089 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 21' ' ' VAL . 6.8 mp -61.37 -44.75 96.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.01 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.68 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -56.53 -55.28 35.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.9 -43.88 63.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 16' ' ' ILE . 46.4 t -64.1 -55.21 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 17' ' ' LEU . 97.3 t -53.55 -45.56 59.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 18' ' ' ALA . 47.8 t -64.54 -44.0 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.26 -39.93 83.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.29 -58.71 3.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.6 t -54.88 -58.53 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.227 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' B' ' 126' ' ' ALA . . . -50.35 -48.2 55.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -58.41 -42.5 87.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.8 mt -66.35 -52.03 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.35 -37.78 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -71.49 -51.21 24.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.89 -55.16 21.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 110' ' ' ILE . . . . . 0.54 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 1.4 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.59 0.71 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 54.4 Cg_endo -69.71 -40.51 5.32 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.662 2.241 . . . . 0.0 112.409 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 39.8 t -50.99 -54.96 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' TYR . . . . . 0.497 ' O ' HD13 ' B' ' 117' ' ' LEU . 5.6 m-85 -64.54 -41.89 96.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -51.43 -52.9 42.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.15 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -54.09 43.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 88.8 mt -50.69 -43.13 23.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.686 ' O ' HG23 ' B' ' 121' ' ' VAL . 6.6 mp -61.56 -43.43 98.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.666 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -57.98 -51.18 70.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.252 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.572 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -57.82 -36.43 72.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.072 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -73.36 -44.01 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.686 HG23 ' O ' ' B' ' 117' ' ' LEU . 85.9 t -62.97 -42.59 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 118' ' ' ALA . 42.4 t -69.39 -43.09 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.187 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.72 -38.34 91.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -57.46 4.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.611 ' HA ' HD12 ' B' ' 128' ' ' ILE . 91.3 t -57.86 -57.95 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 126' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' A' ' 26' ' ' ALA . . . -50.08 -51.06 45.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -52.01 -41.18 62.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' B' ' 125' ' ' VAL . 13.1 mt -65.4 -52.82 47.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -53.1 -38.29 62.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -71.52 -51.83 21.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.99 -55.57 22.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.549 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 121.658 0.742 . . . . 0.0 111.157 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 54.5 Cg_endo -69.8 -33.52 16.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.252 . . . . 0.0 112.373 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.8 t -51.59 -61.03 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.52 ' O ' HD23 ' A' ' 17' ' ' LEU . 7.4 m-85 -59.88 -43.24 94.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.06 -53.98 35.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.5 p -61.72 -53.18 59.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 20' ' ' VAL . 89.2 mt -51.06 -43.42 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.617 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.2 mm? -61.74 -41.88 98.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.648 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -59.43 -55.86 29.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.079 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.55 -43.19 62.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 16' ' ' ILE . 47.9 t -65.01 -56.66 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 17' ' ' LEU . 95.6 t -52.67 -46.32 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 18' ' ' ALA . 50.1 t -63.61 -43.64 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.77 -39.67 87.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.546 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.642 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -70.96 -57.39 4.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 110.91 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 85.0 t -55.62 -57.3 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' B' ' 126' ' ' ALA . . . -50.58 -55.06 17.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -50.06 -65.7 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.642 HD11 HD23 ' A' ' 24' ' ' LEU . 7.2 mt -50.13 -54.4 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.27 -27.29 34.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -84.97 -27.57 26.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 tttm -81.4 -53.75 6.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 110' ' ' ILE . . . . . 0.55 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.679 0.752 . . . . 0.0 111.122 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 111' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.1 Cg_endo -69.77 -34.03 15.37 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 94.8 t -53.04 -62.15 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' TYR . . . . . 0.525 ' O ' HD23 ' B' ' 117' ' ' LEU . 7.3 m-85 -60.77 -41.43 95.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -51.6 -54.74 24.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 59.6 p -60.99 -54.37 45.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 89.5 mt -50.54 -43.12 22.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.67 ' O ' HG23 ' B' ' 121' ' ' VAL . 3.1 mm? -61.35 -41.86 97.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.646 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -59.89 -52.68 64.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.084 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.56 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -56.63 -35.23 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 120' ' ' VAL . . . . . 0.415 HG12 ' N ' ' B' ' 121' ' ' VAL . 0.9 OUTLIER -74.69 -45.64 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.67 HG23 ' O ' ' B' ' 117' ' ' LEU . 97.4 t -61.93 -42.18 93.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 118' ' ' ALA . 44.1 t -69.53 -43.16 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.64 -37.91 90.35 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.602 HD23 HD11 ' B' ' 128' ' ' ILE . 0.2 OUTLIER -71.33 -57.56 4.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.894 0.378 . . . . 0.0 110.937 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 81.2 t -57.6 -56.18 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 126' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' A' ' 26' ' ' ALA . . . -51.37 -57.0 10.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -48.8 -65.8 0.51 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.602 HD11 HD23 ' B' ' 124' ' ' LEU . 9.9 mt -49.86 -54.49 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -54.03 -26.92 28.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -86.51 -26.54 24.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -81.85 -53.9 5.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.858 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.677 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 5.4 mm . . . . . 0 C--O 1.23 0.071 0 CA-C-O 121.672 0.748 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.677 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.5 Cg_endo -69.77 -15.3 37.0 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.3 t -62.34 -67.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.519 ' O ' HD13 ' A' ' 17' ' ' LEU . 45.6 p90 -74.45 -25.6 59.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.23 -48.97 63.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.066 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.7 p -69.09 -50.16 50.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.727 ' O ' HG23 ' A' ' 20' ' ' VAL . 73.8 mt -51.81 -44.2 36.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.161 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.547 ' O ' HG23 ' A' ' 21' ' ' VAL . 6.1 mp -64.04 -46.79 82.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.696 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -54.05 -50.97 65.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.07 -46.86 78.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 16' ' ' ILE . 43.8 t -60.45 -53.81 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 17' ' ' LEU . 64.9 t -53.27 -47.22 57.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 18' ' ' ALA . 56.1 t -63.51 -44.64 98.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.61 -39.96 77.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -60.12 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.7 t -53.72 -58.04 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.54 ' HB1' ' HB1' ' B' ' 126' ' ' ALA . . . -50.62 -49.33 56.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.08 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -57.47 -44.1 84.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.3 mt -64.67 -50.98 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.15 -35.22 64.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -67.4 -61.4 1.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.6 pttt -55.14 -28.31 51.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 110' ' ' ILE . . . . . 0.663 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 7.5 mm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.599 0.714 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 111' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.1 Cg_endo -69.84 -9.77 26.87 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.306 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 78.3 t -67.77 -76.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' TYR . . . . . 0.547 ' O ' HD13 ' B' ' 117' ' ' LEU . 46.2 p90 -65.82 -26.3 67.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.31 -53.21 39.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 82.9 p -64.6 -50.68 66.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 85.1 mt -51.67 -43.39 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.203 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.695 ' O ' HG23 ' B' ' 121' ' ' VAL . 5.1 mp -63.16 -44.27 95.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.662 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -56.62 -47.3 79.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.566 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -62.13 -37.12 83.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.19 -42.73 66.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.695 HG23 ' O ' ' B' ' 117' ' ' LEU . 85.4 t -62.93 -44.36 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 118' ' ' ALA . 45.1 t -68.56 -43.21 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.53 -38.42 91.09 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -58.02 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.553 ' HA ' HD12 ' B' ' 128' ' ' ILE . 90.0 t -57.29 -57.89 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 126' ' ' ALA . . . . . 0.54 ' HB1' ' HB1' ' A' ' 26' ' ' ALA . . . -50.21 -51.16 46.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -51.8 -43.57 63.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.971 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.553 HD12 ' HA ' ' B' ' 125' ' ' VAL . 11.8 mt -63.19 -51.56 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -55.96 -34.68 65.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -67.81 -62.16 1.54 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -55.28 -27.99 50.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 2.5 mt . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 121.635 0.731 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.9 Cg_endo -69.72 -25.67 28.56 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.617 2.211 . . . . 0.0 112.355 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.2 -62.34 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.197 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -66.42 -41.94 88.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.17 -51.79 50.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.067 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 97.4 p -64.26 -54.4 33.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.659 ' O ' HG23 ' A' ' 20' ' ' VAL . 84.9 mt -50.1 -44.55 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.6 mm? -65.24 -35.27 80.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -61.78 -52.31 64.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.815 ' HB1' ' HA ' ' B' ' 120' ' ' VAL . . . -58.56 -43.89 89.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.814 ' HA ' ' HB1' ' B' ' 119' ' ' ALA . 46.5 t -65.25 -61.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 17' ' ' LEU . 80.3 t -47.79 -49.44 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 18' ' ' ALA . 93.8 t -67.03 -43.44 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.72 -38.61 95.43 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.552 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.859 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -75.13 -53.94 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.961 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 21' ' ' VAL . 89.0 t -57.66 -51.97 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.33 -49.37 77.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -60.47 -59.83 4.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.859 HD11 HD23 ' A' ' 24' ' ' LEU . 15.2 mt -54.29 -52.3 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.9 -59.46 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -63.88 -23.74 67.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -61.57 -51.5 68.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 110' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 2.2 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.602 0.715 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.3 Cg_endo -69.77 -28.4 25.23 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.747 2.298 . . . . 0.0 112.259 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.08 -66.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -60.95 -37.11 81.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -51.67 -56.04 15.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 90.2 p -65.27 -52.82 51.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' ILE . . . . . 0.668 ' O ' HG23 ' B' ' 120' ' ' VAL . 86.1 mt -48.42 -46.6 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.554 ' O ' HG23 ' B' ' 121' ' ' VAL . 3.6 mm? -64.76 -37.92 89.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.504 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -57.93 -44.17 86.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.814 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -66.17 -46.68 76.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 120' ' ' VAL . . . . . 0.815 ' HA ' ' HB1' ' A' ' 19' ' ' ALA . 15.5 t -63.62 -58.58 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.554 HG23 ' O ' ' B' ' 117' ' ' LEU . 95.4 t -47.41 -52.09 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 118' ' ' ALA . 96.5 t -66.22 -43.47 91.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.95 -36.23 89.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.524 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.71 HD23 HD11 ' B' ' 128' ' ' ILE . 0.2 OUTLIER -76.97 -55.31 5.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.771 0.32 . . . . 0.0 110.935 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 121' ' ' VAL . 95.3 t -57.05 -48.0 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.06 -53.69 51.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -54.39 -52.67 60.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.71 HD11 HD23 ' B' ' 124' ' ' LEU . 18.9 mt -62.36 -57.08 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.18 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -50.61 -59.16 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.17 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -53.01 -33.5 52.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -54.34 -47.6 72.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.634 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 4.9 mm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.614 0.721 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.6 Cg_endo -69.8 -37.9 8.44 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.617 2.212 . . . . 0.0 112.38 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.1 t -52.21 -62.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.185 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -65.99 -40.63 91.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.71 -53.56 45.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -62.49 -54.94 32.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.684 ' O ' HG23 ' A' ' 20' ' ' VAL . 89.6 mt -50.35 -44.0 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.615 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.1 mm? -62.97 -37.68 88.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -62.27 -57.45 11.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.81 -42.31 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 16' ' ' ILE . 57.3 t -65.35 -58.55 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.085 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 17' ' ' LEU . 87.6 t -53.28 -46.09 56.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 18' ' ' ALA . 99.4 t -62.31 -42.6 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.26 -41.9 97.03 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.517 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.774 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -71.76 -52.96 15.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 110.955 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 21' ' ' VAL . 73.4 t -58.81 -57.77 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.1 -57.66 8.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -49.85 -67.97 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.774 HD11 HD23 ' A' ' 24' ' ' LEU . 14.0 mt -49.25 -56.06 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.89 -61.44 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -60.7 -22.61 64.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -46.73 64.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.7 mtp85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 110' ' ' ILE . . . . . 0.655 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 7.8 mm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.621 0.724 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' PRO . . . . . 0.655 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.5 Cg_endo -69.76 -38.12 8.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.659 2.239 . . . . 0.0 112.323 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 96.7 t -51.88 -63.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' TYR . . . . . 0.433 ' O ' HD23 ' B' ' 117' ' ' LEU . 7.3 m-85 -65.38 -40.31 93.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.74 -54.01 39.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 3.5 m -62.48 -54.98 32.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 89.5 mt -50.22 -43.68 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.64 ' O ' HG23 ' B' ' 121' ' ' VAL . 2.9 mm? -61.27 -41.97 97.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.648 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -59.21 -48.83 80.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.068 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.433 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -58.15 -39.79 79.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 1.1 t -73.07 -39.6 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.64 HG23 ' O ' ' B' ' 117' ' ' LEU . 69.7 t -67.19 -42.26 87.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.648 HG23 ' O ' ' B' ' 118' ' ' ALA . 49.0 t -71.43 -41.47 73.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.175 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.15 -39.14 96.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.612 HD23 HD11 ' B' ' 128' ' ' ILE . 0.2 OUTLIER -69.97 -54.01 15.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.861 0.362 . . . . 0.0 110.924 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 79.9 t -61.73 -57.51 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.39 -61.25 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -46.95 -70.29 0.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.612 HD11 HD23 ' B' ' 124' ' ' LEU . 19.6 mt -46.92 -57.82 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -46.25 -64.92 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -55.31 -25.24 33.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -43.97 66.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 56.3 mtp85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.85 0.357 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.2 p -133.37 105.25 6.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -135.97 171.6 14.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.92 163.27 25.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.508 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 49.8 p -56.08 -53.48 56.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 111.147 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.51 176.82 11.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.9 t70 56.14 27.22 11.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.444 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -111.4 -45.45 3.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pp -96.61 -17.79 20.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.9 OUTLIER -50.46 -57.46 13.02 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.665 0.745 . . . . 0.0 111.128 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.8 Cg_endo -69.79 -22.55 31.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 8' ' ' ASN . 87.3 t -66.15 -61.22 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.508 ' O ' HD23 ' A' ' 17' ' ' LEU . 7.1 m-85 -61.7 -41.32 97.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.05 -54.78 30.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.072 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.8 m -61.14 -54.44 44.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.709 ' O ' HG23 ' A' ' 20' ' ' VAL . 89.6 mt -50.54 -44.18 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.577 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.0 mm? -62.15 -38.08 87.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.649 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -62.04 -56.37 19.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.91 -43.15 63.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 16' ' ' ILE . 48.1 t -63.59 -57.66 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 17' ' ' LEU . 96.3 t -54.43 -45.53 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 18' ' ' ALA . 67.8 t -63.19 -41.34 92.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.99 -40.86 99.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.637 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -72.6 -50.08 27.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 21' ' ' VAL . 88.8 t -61.8 -56.32 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.54 -56.45 16.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -49.98 -66.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.637 HD11 HD23 ' A' ' 24' ' ' LEU . 19.3 mt -50.84 -54.98 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.94 -61.74 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -61.04 -22.66 64.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.66 -23.35 42.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -51.23 7.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -59.63 -24.77 64.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -59.78 -22.99 62.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.2 m -81.67 -1.27 46.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 t 62.25 28.67 17.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -91.13 105.74 18.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -82.25 144.88 30.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -162.54 151.28 14.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -64.16 117.97 7.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 11.1 p -133.03 104.09 6.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -137.15 172.95 12.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.38 161.39 21.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.497 ' O ' HG23 ' B' ' 106' ' ' THR . 49.2 p -57.88 -60.02 4.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 111.175 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.497 HG23 ' O ' ' B' ' 105' ' ' THR . 0.8 OUTLIER -160.77 176.94 10.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.139 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 t70 54.65 27.24 8.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ASN . . . . . 0.403 ' O ' HG23 ' B' ' 112' ' ' VAL . 0.6 OUTLIER -111.11 -49.86 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 pp -104.27 -19.71 14.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ILE . . . . . 0.549 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 0.9 OUTLIER -50.24 -57.36 13.07 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.665 0.745 . . . . 0.0 111.167 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 111' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 54.0 Cg_endo -69.72 -22.33 32.42 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.329 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 108' ' ' ASN . 93.1 t -66.16 -63.98 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' TYR . . . . . 0.54 ' O ' HD23 ' B' ' 117' ' ' LEU . 7.3 m-85 -66.15 -40.28 90.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.59 -55.6 24.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.135 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 13.9 m -60.34 -54.93 39.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 89.3 mt -50.99 -43.15 25.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.636 ' O ' HG23 ' B' ' 121' ' ' VAL . 2.6 mm? -60.28 -42.04 94.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.601 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -60.62 -48.48 81.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.445 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -57.8 -37.83 74.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.078 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 120' ' ' VAL . . . . . 0.42 HG12 ' N ' ' B' ' 121' ' ' VAL . 0.9 OUTLIER -75.24 -44.04 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.636 HG23 ' O ' ' B' ' 117' ' ' LEU . 85.9 t -63.49 -43.48 98.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.601 HG23 ' O ' ' B' ' 118' ' ' ALA . 58.9 t -70.67 -41.56 77.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.61 -38.75 96.37 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.551 HD23 HD11 ' B' ' 128' ' ' ILE . 0.2 OUTLIER -71.2 -52.36 19.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 110.964 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 121' ' ' VAL . 85.0 t -62.57 -56.21 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.11 -59.43 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -47.38 -69.11 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.551 HD11 HD23 ' B' ' 124' ' ' LEU . 20.7 mt -48.9 -53.79 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.164 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -48.18 -68.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -56.94 -22.09 35.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -23.93 44.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -49.93 7.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -58.12 -23.23 54.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -59.29 -23.03 62.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 63.6 m -85.23 3.81 37.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 3.1 t 61.54 26.9 16.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -91.83 104.77 17.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -83.03 143.88 30.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -162.92 149.96 12.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -64.55 118.33 8.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.1 mtp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.817 0.341 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -105.88 -68.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.06 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 59.5 mtt85 58.88 40.35 22.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.61 120.68 9.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -155.84 132.23 10.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 111.153 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.4 p -111.81 128.49 56.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.459 ' HB3' HD23 ' A' ' 9' ' ' LEU . 36.9 t70 -130.84 42.83 3.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.563 ' O ' HG23 ' A' ' 12' ' ' VAL . 9.4 m120 63.19 26.93 15.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.459 HD23 ' HB3' ' A' ' 7' ' ' ASP . 1.2 mm? -78.87 -20.32 49.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -50.34 -57.82 11.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.694 0.759 . . . . 0.0 111.125 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.6 Cg_endo -69.73 -28.87 24.85 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.367 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 8' ' ' ASN . 88.6 t -62.87 -62.24 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.422 ' CE1' HD12 ' A' ' 9' ' ' LEU . 5.3 m-85 -64.59 -41.54 96.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.64 -53.27 40.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.085 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.5 m -62.47 -54.27 42.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.692 ' O ' HG23 ' A' ' 20' ' ' VAL . 90.5 mt -50.45 -43.97 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.3 mm? -63.6 -37.24 86.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.681 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -62.4 -58.06 9.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.09 -46.01 61.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 16' ' ' ILE . 57.9 t -59.89 -55.14 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 17' ' ' LEU . 89.1 t -57.11 -42.65 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 18' ' ' ALA . 73.9 t -63.87 -41.9 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.065 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.411 ' HA2' ' HA2' ' B' ' 123' ' ' GLY . . . -61.17 -42.6 99.84 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.422 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.563 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -71.89 -48.76 43.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.897 -179.882 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 21' ' ' VAL . 95.1 t -62.57 -58.43 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.82 -55.12 21.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -51.4 -67.88 0.21 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.563 HD11 HD23 ' A' ' 24' ' ' LEU . 21.5 mt -50.31 -57.34 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.83 -61.23 1.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -58.9 -25.63 63.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -67.44 -51.77 47.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.951 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -32.12 68.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -67.57 -24.82 65.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -61.38 -25.96 67.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.0 m -82.66 -1.29 50.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.3 m 55.17 37.97 29.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -99.91 137.47 38.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -154.6 123.98 6.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -95.24 -68.45 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -85.09 113.47 21.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 36.5 mtp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.815 0.34 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 1.1 p -105.14 -68.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.086 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 58.52 43.59 19.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.01 118.94 10.08 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 8.9 t -158.38 133.98 8.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 111.186 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 39.2 p -109.59 122.7 48.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -138.53 46.84 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ASN . . . . . 0.497 ' O ' HG23 ' B' ' 112' ' ' VAL . 7.4 m120 63.98 25.78 13.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.537 HD12 ' CE1' ' B' ' 113' ' ' TYR . 1.3 mm? -79.07 -20.16 49.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 0.8 OUTLIER -49.56 -57.64 11.44 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.579 0.704 . . . . 0.0 111.127 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 111' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.8 Cg_endo -69.78 -28.83 24.66 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.686 2.258 . . . . 0.0 112.349 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 108' ' ' ASN . 94.8 t -65.03 -63.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' TYR . . . . . 0.537 ' CE1' HD12 ' B' ' 109' ' ' LEU . 4.8 m-85 -62.68 -38.63 91.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.96 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.49 -54.59 30.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.091 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 5.4 m -63.59 -54.0 42.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.795 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 90.4 mt -49.89 -44.2 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.653 ' O ' HG23 ' B' ' 121' ' ' VAL . 3.0 mm? -62.02 -42.25 98.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.679 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -57.61 -49.89 74.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.432 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -58.29 -40.93 83.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.05 -37.52 67.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 117' ' ' LEU . 70.1 t -69.16 -40.55 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.679 HG23 ' O ' ' B' ' 118' ' ' ALA . 51.8 t -70.85 -42.28 77.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 123' ' ' GLY . . . . . 0.411 ' HA2' ' HA2' ' A' ' 23' ' ' GLY . . . -62.23 -41.15 99.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.531 ' O ' HD12 ' B' ' 128' ' ' ILE . 0.1 OUTLIER -70.34 -50.89 34.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 110.926 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.52 HG23 ' O ' ' B' ' 121' ' ' VAL . 90.6 t -63.0 -59.2 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -49.96 -59.07 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -48.45 -71.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.531 HD12 ' O ' ' B' ' 124' ' ' LEU . 25.6 mt -47.0 -56.69 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.091 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -46.43 -65.0 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -56.76 -24.53 50.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -69.58 -52.43 26.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -33.29 71.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 71.6 t-105 -70.5 -25.99 63.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -64.17 -27.96 69.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 37.4 m -85.17 3.49 38.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 25.2 m 51.59 37.04 18.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -99.71 138.72 36.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -153.61 123.84 7.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -95.15 -68.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -84.34 113.08 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.8 p -137.58 155.26 49.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -164.32 170.59 15.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.94 128.94 1.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.704 HG22 HG23 ' A' ' 6' ' ' THR . 86.3 m -72.53 -71.51 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.35 . . . . 0.0 111.171 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.704 HG23 HG22 ' A' ' 5' ' ' THR . 80.7 p -146.54 122.75 10.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.14 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -122.09 37.27 4.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 59.99 21.63 10.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.5 mt -87.86 -5.46 58.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.543 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 2.4 mt -51.2 -57.4 14.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 111.217 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 54.1 Cg_endo -69.71 -39.82 6.14 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.72 2.28 . . . . 0.0 112.372 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.4 t -53.67 -58.57 3.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.187 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.501 ' O ' HD23 ' A' ' 17' ' ' LEU . 5.6 m-85 -55.85 -40.95 73.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.13 -55.28 25.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -61.41 -54.82 38.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.692 ' O ' HG23 ' A' ' 20' ' ' VAL . 89.9 mt -50.26 -44.06 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.607 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.9 mm? -62.96 -37.01 85.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.633 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -62.79 -57.53 10.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.75 -42.26 62.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 16' ' ' ILE . 60.5 t -65.47 -58.56 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.177 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 17' ' ' LEU . 89.7 t -53.29 -45.59 56.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 18' ' ' ALA . 99.4 t -62.74 -42.86 97.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.71 -40.81 95.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.792 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -72.75 -54.69 8.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 0.0 110.91 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 21' ' ' VAL . 89.9 t -57.26 -55.65 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.102 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.87 -57.98 8.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -49.14 -67.42 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.792 HD11 HD23 ' A' ' 24' ' ' LEU . 11.2 mt -49.73 -50.29 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.4 -61.63 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.051 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -65.5 -22.66 66.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.8 -49.52 77.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -42.48 22.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -63.2 -21.62 66.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -58.92 -22.64 60.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.4 m -81.69 -1.76 48.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 t 50.6 72.88 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -147.64 133.86 19.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -89.17 140.96 28.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -155.02 152.14 29.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -51.77 126.44 17.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.797 0.332 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 23.8 p -137.14 155.2 49.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.177 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -164.07 171.19 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 155.62 129.57 1.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.708 HG22 HG23 ' B' ' 106' ' ' THR . 90.1 m -70.18 -71.04 0.26 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.86 0.362 . . . . 0.0 111.158 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.708 HG23 HG22 ' B' ' 105' ' ' THR . 81.4 p -146.38 122.24 10.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -126.74 38.61 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 5.9 m120 62.43 21.28 12.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 24.4 mt -88.34 -5.49 58.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ILE . . . . . 0.534 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 2.2 mt -50.94 -57.4 13.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.613 0.72 . . . . 0.0 111.103 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 54.2 Cg_endo -69.75 -41.84 3.93 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 0.0 112.389 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 29.5 t -54.55 -58.91 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' TYR . . . . . 0.528 ' O ' HD23 ' B' ' 117' ' ' LEU . 5.8 m-85 -56.66 -39.98 74.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.69 -54.88 27.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 81.1 p -61.71 -55.09 34.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 91.2 mt -49.96 -43.88 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.178 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.629 ' O ' HG23 ' B' ' 121' ' ' VAL . 2.9 mm? -61.53 -40.53 94.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.636 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -60.16 -49.99 75.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.456 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -57.91 -38.76 76.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 1.2 t -73.49 -41.32 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.105 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 117' ' ' LEU . 74.4 t -66.44 -42.09 89.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.636 HG23 ' O ' ' B' ' 118' ' ' ALA . 56.8 t -71.27 -41.57 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.87 -38.81 95.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.434 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.637 HD23 HD11 ' B' ' 128' ' ' ILE . 0.2 OUTLIER -70.84 -54.82 10.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.33 . . . . 0.0 110.876 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 92.3 t -60.61 -56.44 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.32 -60.12 3.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -47.41 -70.31 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.637 HD11 HD23 ' B' ' 124' ' ' LEU . 15.6 mt -47.2 -53.1 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -48.81 -63.76 1.0 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -58.27 -25.95 62.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.27 -48.17 82.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -41.36 28.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -63.21 -19.42 64.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -60.96 -18.56 57.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 58.2 m -83.85 2.89 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 6.2 t 58.52 85.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -137.51 132.72 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -88.44 141.24 28.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -155.28 151.32 27.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -52.47 126.33 19.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.809 0.338 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.4 p -142.29 148.48 38.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.103 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -118.72 177.84 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' O ' HG23 ' A' ' 5' ' ' THR . . . 83.99 -132.65 11.23 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.502 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.676 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.3 p -155.44 134.78 12.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 111.117 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.417 ' O ' HG22 ' A' ' 6' ' ' THR . 8.4 m -72.05 -4.39 28.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -59.12 119.34 7.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m120 68.91 10.06 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 5' ' ' THR . 6.9 mt -98.31 -0.26 44.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.627 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 2.0 mm -52.8 -51.91 69.65 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.587 0.708 . . . . 0.0 111.144 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.627 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.4 Cg_endo -69.77 -46.44 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.648 2.232 . . . . 0.0 112.309 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -50.0 -62.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.55 ' O ' HD13 ' A' ' 17' ' ' LEU . 4.0 m-85 -59.8 -43.22 94.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.77 -54.11 38.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.9 p -62.39 -54.47 39.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.738 ' O ' HG23 ' A' ' 20' ' ' VAL . 88.8 mt -50.64 -43.58 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.55 HD13 ' O ' ' A' ' 13' ' ' TYR . 6.0 mp -59.07 -48.32 82.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -55.04 -48.26 73.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.589 ' HB1' ' HA ' ' B' ' 120' ' ' VAL . . . -55.98 -43.38 77.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 16' ' ' ILE . 16.9 t -62.85 -58.18 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.4 t -50.13 -50.45 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.192 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 18' ' ' ALA . 51.5 t -60.75 -44.29 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.3 -39.36 82.11 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.9 -59.68 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.46 ' HA ' HD12 ' A' ' 28' ' ' ILE . 92.5 t -53.72 -58.35 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.632 ' HB1' ' HB1' ' B' ' 126' ' ' ALA . . . -50.86 -50.12 57.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -54.74 -44.13 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 25' ' ' VAL . 10.4 mt -63.57 -50.08 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.77 -40.02 78.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.029 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -72.01 -25.98 62.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -82.77 -25.64 32.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -80.53 -46.01 16.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -57.28 -28.46 63.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -71.85 -26.32 62.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -85.93 -1.29 57.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.826 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.1 m 53.4 37.59 25.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -54.96 138.38 43.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -58.81 -29.17 66.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -69.04 104.65 2.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -91.1 -48.54 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.895 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.906 0.384 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 44.7 p -139.65 148.39 42.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.241 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -117.61 -179.55 3.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.834 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' GLY . . . . . 0.47 ' O ' HG23 ' B' ' 105' ' ' THR . . . 84.82 -139.34 17.75 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.509 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.746 ' O ' HD12 ' B' ' 109' ' ' LEU . 1.6 p -157.5 135.07 10.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 111.183 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 10.8 m -72.94 -7.24 50.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -55.28 121.45 8.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.7 m120 64.28 15.45 9.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.746 HD12 ' O ' ' B' ' 105' ' ' THR . 14.8 mt -118.64 25.99 9.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ILE . . . . . 0.634 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 3.8 mm -66.01 -51.57 45.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.589 0.709 . . . . 0.0 111.121 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 54.6 Cg_endo -69.65 -42.65 3.32 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.706 2.27 . . . . 0.0 112.399 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.532 HG21 HD23 ' B' ' 109' ' ' LEU . 97.8 t -51.78 -62.32 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' TYR . . . . . 0.545 ' O ' HD13 ' B' ' 117' ' ' LEU . 5.3 m-85 -62.58 -42.04 99.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.87 -54.02 40.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.103 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 6.0 p -62.45 -56.11 21.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' ILE . . . . . 0.732 ' O ' HG23 ' B' ' 120' ' ' VAL . 90.3 mt -49.61 -43.69 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.545 HD13 ' O ' ' B' ' 113' ' ' TYR . 5.8 mp -58.47 -49.74 76.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.633 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -54.08 -49.34 69.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.614 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -54.18 -44.81 71.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 116' ' ' ILE . 15.0 t -62.77 -58.24 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 85.4 t -49.86 -50.61 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.633 HG23 ' O ' ' B' ' 118' ' ' ALA . 49.9 t -61.14 -44.06 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.168 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -56.43 -39.33 83.46 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.61 -59.73 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.94 0.4 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.465 ' HA ' HD12 ' B' ' 128' ' ' ILE . 96.7 t -54.49 -58.25 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 126' ' ' ALA . . . . . 0.632 ' HB1' ' HB1' ' A' ' 26' ' ' ALA . . . -50.5 -49.28 55.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -54.7 -44.55 73.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' B' ' 125' ' ' VAL . 10.5 mt -63.52 -50.18 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.13 -39.17 81.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -71.13 -26.5 63.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -82.42 -26.47 32.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -82.29 -45.72 14.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.815 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -56.97 -28.63 62.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -72.28 -28.46 63.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 2.8 t -88.03 4.22 45.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 10.4 m 53.3 36.08 21.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -56.48 137.68 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -59.53 -29.16 67.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -69.18 105.33 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -90.77 -48.46 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.827 0.346 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 p -55.65 116.28 2.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -124.05 141.38 52.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.43 35.55 2.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p -142.09 106.92 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 111.155 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.525 HG23 ' H ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -44.87 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.525 ' H ' HG23 ' A' ' 6' ' ' THR . 15.4 t0 54.41 35.61 23.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.486 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.2 m120 53.2 40.74 31.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.571 HD22 ' OH ' ' A' ' 13' ' ' TYR . 71.7 mt -92.37 -13.65 29.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.554 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 3.0 mt -53.94 -56.96 20.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 111.174 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.9 Cg_endo -69.8 -30.47 22.02 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 8' ' ' ASN . 85.7 t -54.62 -63.1 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.571 ' OH ' HD22 ' A' ' 9' ' ' LEU . 1.8 m-85 -70.26 -39.99 74.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.39 -52.74 60.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.8 m -63.04 -54.77 32.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.731 ' O ' HG23 ' A' ' 20' ' ' VAL . 86.1 mt -51.17 -43.78 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.096 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 13' ' ' TYR . 2.4 mm? -58.37 -48.21 81.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -55.62 -51.57 66.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' CB ' HG13 ' B' ' 120' ' ' VAL . . . -51.82 -45.98 64.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 16' ' ' ILE . 17.0 t -62.35 -61.55 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.7 t -50.11 -49.81 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 18' ' ' ALA . 99.4 t -61.26 -41.05 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.183 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.68 -39.7 96.98 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.582 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.689 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -72.29 -52.7 15.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.327 . . . . 0.0 110.918 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.17 -55.39 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.61 -58.35 7.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.18 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -48.24 -67.26 0.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.689 HD11 HD23 ' A' ' 24' ' ' LEU . 14.0 mt -50.11 -54.49 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.63 -61.14 2.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.012 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -61.29 -22.6 65.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -69.52 -43.92 72.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.962 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.8 mtp85 -85.12 -31.46 23.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -57.4 -32.15 66.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -59.24 -43.57 92.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -92.79 -1.17 57.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.8 m -142.16 100.83 3.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.794 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -26.97 48.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -81.74 156.45 24.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -112.78 -27.68 8.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.21 -44.07 64.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 2.3 mmt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 1.2 p -55.28 116.38 2.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -123.74 142.04 51.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.23 33.74 2.28 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.517 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 2.6 p -144.01 104.68 4.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.906 0.384 . . . . 0.0 111.145 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.531 HG23 ' H ' ' B' ' 107' ' ' ASP . 0.1 OUTLIER -44.91 -75.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.199 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ASP . . . . . 0.531 ' H ' HG23 ' B' ' 106' ' ' THR . 15.3 t0 51.49 35.29 14.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ASN . . . . . 0.45 ' O ' HG23 ' B' ' 112' ' ' VAL . 10.6 m120 52.47 38.88 26.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.475 HD22 ' HE1' ' B' ' 113' ' ' TYR . 63.7 mt -92.77 -14.38 27.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ILE . . . . . 0.534 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 3.0 mt -51.25 -57.43 14.08 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.633 0.73 . . . . 0.0 111.212 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.3 Cg_endo -69.86 -32.6 17.86 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.663 2.242 . . . . 0.0 112.36 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 108' ' ' ASN . 69.3 t -53.34 -67.98 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' TYR . . . . . 0.475 ' HE1' HD22 ' B' ' 109' ' ' LEU . 87.5 m-85 -64.31 -39.34 93.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.6 -54.78 32.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 66.6 m -61.78 -54.85 36.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' ILE . . . . . 0.725 ' O ' HG23 ' B' ' 120' ' ' VAL . 89.2 mt -50.62 -43.84 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.415 HD23 ' O ' ' B' ' 113' ' ' TYR . 2.3 mm? -58.64 -47.25 85.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.569 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -56.31 -51.37 68.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.061 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.17 -45.79 65.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' VAL . . . . . 0.725 HG23 ' O ' ' B' ' 116' ' ' ILE . 16.8 t -62.48 -61.45 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 60.5 t -50.04 -49.88 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.569 HG23 ' O ' ' B' ' 118' ' ' ALA . 98.3 t -61.37 -41.0 88.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.09 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.71 -40.49 98.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.705 HD23 HD11 ' B' ' 128' ' ' ILE . 0.2 OUTLIER -71.31 -52.63 17.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 110.944 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 77.6 t -60.39 -56.91 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.0 -58.4 6.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -48.27 -70.06 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.918 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.705 HD11 HD23 ' B' ' 124' ' ' LEU . 14.4 mt -47.85 -52.9 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -47.75 -63.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -61.41 -19.22 61.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -72.5 -44.98 61.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 32.2 mtp85 -85.59 -30.44 23.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 15.5 t-105 -56.74 -31.09 64.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -58.28 -43.83 88.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 2.4 t -93.17 4.11 54.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 67.8 m -142.48 100.84 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -26.48 50.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -81.76 156.31 25.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -112.89 -27.64 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.09 -43.99 64.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.919 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mtt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.811 0.339 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m -133.68 150.19 51.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -127.74 153.58 46.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.71 108.69 0.35 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.4 t -67.64 -24.52 65.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.652 ' O ' HD12 ' A' ' 10' ' ' ILE . 3.4 m -55.87 -24.32 36.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.81 -24.69 23.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -108.65 -18.51 13.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.9 mt -82.4 -7.0 59.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.652 HD12 ' O ' ' A' ' 6' ' ' THR . 0.8 OUTLIER -54.39 -58.03 15.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.71 . . . . 0.0 111.137 179.832 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 54.2 Cg_endo -69.73 -41.33 4.41 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.259 . . . . 0.0 112.331 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -51.72 -53.34 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.479 ' O ' HD13 ' A' ' 17' ' ' LEU . 6.4 m-85 -62.73 -41.72 99.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.37 -52.17 48.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.054 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -53.28 55.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.726 ' O ' HG23 ' A' ' 20' ' ' VAL . 89.7 mt -50.6 -43.73 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.089 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 21' ' ' VAL . 6.8 mp -61.37 -44.75 96.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.01 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.68 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -56.53 -55.28 35.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.9 -43.88 63.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 16' ' ' ILE . 46.4 t -64.1 -55.21 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 17' ' ' LEU . 97.3 t -53.55 -45.56 59.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 18' ' ' ALA . 47.8 t -64.54 -44.0 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.26 -39.93 83.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.29 -58.71 3.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.6 t -54.88 -58.53 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.227 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' B' ' 126' ' ' ALA . . . -50.35 -48.2 55.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -58.41 -42.5 87.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.8 mt -66.35 -52.03 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.35 -37.78 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -71.49 -51.21 24.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.89 -55.16 21.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -57.46 -38.36 74.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -65.47 -34.95 79.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -60.99 -41.04 95.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.7 m -88.29 -1.27 57.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.6 t -90.08 145.07 25.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.08 -26.23 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -57.74 150.3 20.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -140.0 173.3 11.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.0 157.3 43.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.899 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 5.8 mtt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 3.0 m -134.07 149.83 51.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -128.21 150.74 49.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.827 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -166.34 107.99 0.3 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 10.3 t -67.84 -29.38 68.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.9 0.381 . . . . 0.0 111.181 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 2.4 m -59.34 -21.73 60.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -19.55 53.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ASN . . . . . 0.43 ' HB2' HD12 ' B' ' 110' ' ' ILE . 1.7 m120 -92.03 5.73 49.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 42.5 mt 47.38 32.16 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ILE . . . . . 0.54 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 1.4 mt -53.89 -57.52 17.37 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.59 0.71 . . . . 0.0 111.163 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 54.4 Cg_endo -69.71 -40.51 5.32 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.662 2.241 . . . . 0.0 112.409 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 39.8 t -50.99 -54.96 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' TYR . . . . . 0.497 ' O ' HD13 ' B' ' 117' ' ' LEU . 5.6 m-85 -64.54 -41.89 96.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -51.43 -52.9 42.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.15 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -54.09 43.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 88.8 mt -50.69 -43.13 23.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.686 ' O ' HG23 ' B' ' 121' ' ' VAL . 6.6 mp -61.56 -43.43 98.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.666 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -57.98 -51.18 70.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.252 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.572 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -57.82 -36.43 72.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.072 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -73.36 -44.01 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.686 HG23 ' O ' ' B' ' 117' ' ' LEU . 85.9 t -62.97 -42.59 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 118' ' ' ALA . 42.4 t -69.39 -43.09 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.187 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.72 -38.34 91.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -57.46 4.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.611 ' HA ' HD12 ' B' ' 128' ' ' ILE . 91.3 t -57.86 -57.95 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 126' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' A' ' 26' ' ' ALA . . . -50.08 -51.06 45.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -52.01 -41.18 62.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' B' ' 125' ' ' VAL . 13.1 mt -65.4 -52.82 47.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -53.1 -38.29 62.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -71.52 -51.83 21.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.99 -55.57 22.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -57.82 -37.77 74.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 52.4 t90 -64.97 -34.59 78.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -60.6 -41.59 95.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 36.5 m -88.38 4.23 47.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 11.7 t -90.06 145.37 25.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.68 -26.25 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -57.98 150.4 20.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -140.05 173.16 11.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -145.95 157.34 43.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.956 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.919 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.921 0.391 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.12 106.51 3.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -142.6 105.21 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.05 96.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 6' ' ' THR . 1.4 p -149.65 129.57 13.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 111.068 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER 177.98 171.12 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.15 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.417 ' HA ' HD13 ' A' ' 10' ' ' ILE . 1.3 t70 64.77 43.01 4.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.17 -50.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.2 mt -88.43 -11.91 44.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.549 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -52.45 -57.33 15.98 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 0.0 111.157 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 54.5 Cg_endo -69.8 -33.52 16.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.252 . . . . 0.0 112.373 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.8 t -51.59 -61.03 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.52 ' O ' HD23 ' A' ' 17' ' ' LEU . 7.4 m-85 -59.88 -43.24 94.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.06 -53.98 35.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.5 p -61.72 -53.18 59.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 20' ' ' VAL . 89.2 mt -51.06 -43.42 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.617 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.2 mm? -61.74 -41.88 98.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.648 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -59.43 -55.86 29.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.079 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.55 -43.19 62.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 16' ' ' ILE . 47.9 t -65.01 -56.66 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 17' ' ' LEU . 95.6 t -52.67 -46.32 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 18' ' ' ALA . 50.1 t -63.61 -43.64 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.77 -39.67 87.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.546 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.642 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -70.96 -57.39 4.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 110.91 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 85.0 t -55.62 -57.3 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' B' ' 126' ' ' ALA . . . -50.58 -55.06 17.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -50.06 -65.7 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.642 HD11 HD23 ' A' ' 24' ' ' LEU . 7.2 mt -50.13 -54.4 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.27 -27.29 34.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -84.97 -27.57 26.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 tttm -81.4 -53.75 6.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -52.78 -51.38 60.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 66.6 t-105 -55.27 -31.17 61.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -69.49 -25.64 64.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.8 t -84.5 -1.34 55.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 t 60.24 39.11 19.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.6 114.83 27.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -110.66 139.76 45.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -148.31 164.86 32.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -63.87 -50.09 70.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.879 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.88 0.372 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.94 107.96 4.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -140.47 106.09 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 65.85 93.71 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 1.7 p -153.33 128.96 10.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.151 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.09 174.35 0.27 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 t70 67.05 22.22 10.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -165.98 -44.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 13.2 mt -88.09 9.75 21.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ILE . . . . . 0.55 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 0.9 OUTLIER -48.95 -57.36 11.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.679 0.752 . . . . 0.0 111.122 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 111' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.1 Cg_endo -69.77 -34.03 15.37 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 94.8 t -53.04 -62.15 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' TYR . . . . . 0.525 ' O ' HD23 ' B' ' 117' ' ' LEU . 7.3 m-85 -60.77 -41.43 95.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -51.6 -54.74 24.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 59.6 p -60.99 -54.37 45.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 89.5 mt -50.54 -43.12 22.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.67 ' O ' HG23 ' B' ' 121' ' ' VAL . 3.1 mm? -61.35 -41.86 97.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.646 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -59.89 -52.68 64.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.084 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.56 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -56.63 -35.23 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 120' ' ' VAL . . . . . 0.415 HG12 ' N ' ' B' ' 121' ' ' VAL . 0.9 OUTLIER -74.69 -45.64 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.67 HG23 ' O ' ' B' ' 117' ' ' LEU . 97.4 t -61.93 -42.18 93.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 118' ' ' ALA . 44.1 t -69.53 -43.16 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.64 -37.91 90.35 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.602 HD23 HD11 ' B' ' 128' ' ' ILE . 0.2 OUTLIER -71.33 -57.56 4.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.894 0.378 . . . . 0.0 110.937 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 81.2 t -57.6 -56.18 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' A' ' 26' ' ' ALA . . . -51.37 -57.0 10.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -48.8 -65.8 0.51 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.602 HD11 HD23 ' B' ' 124' ' ' LEU . 9.9 mt -49.86 -54.49 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -54.03 -26.92 28.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -86.51 -26.54 24.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -81.85 -53.9 5.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -52.06 -51.76 55.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -57.23 -32.2 66.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -69.26 -26.77 64.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 3.8 t -85.59 4.04 37.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 3.3 t 59.06 38.21 24.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.35 114.92 27.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -110.97 139.36 46.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -148.34 164.91 32.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -64.11 -50.04 69.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.973 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.971 179.852 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mtt . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.874 0.369 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -130.84 164.17 25.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -60.98 164.37 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.6 81.81 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.451 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.7 t -55.7 -40.6 72.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.933 0.396 . . . . 0.0 111.173 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.505 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.6 m -67.19 -67.05 0.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 t0 51.09 30.44 5.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 m120 51.56 56.0 8.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.935 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 6' ' ' THR . 0.7 OUTLIER -89.32 -1.47 58.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.677 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 5.4 mm -64.79 -50.2 65.01 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.672 0.748 . . . . 0.0 111.096 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.677 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.5 Cg_endo -69.77 -15.3 37.0 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.445 HG23 ' HA ' ' A' ' 9' ' ' LEU . 75.3 t -62.34 -67.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.519 ' O ' HD13 ' A' ' 17' ' ' LEU . 45.6 p90 -74.45 -25.6 59.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.23 -48.97 63.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.066 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.7 p -69.09 -50.16 50.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.727 ' O ' HG23 ' A' ' 20' ' ' VAL . 73.8 mt -51.81 -44.2 36.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.161 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.547 ' O ' HG23 ' A' ' 21' ' ' VAL . 6.1 mp -64.04 -46.79 82.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.696 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -54.05 -50.97 65.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.07 -46.86 78.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 16' ' ' ILE . 43.8 t -60.45 -53.81 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 17' ' ' LEU . 64.9 t -53.27 -47.22 57.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 18' ' ' ALA . 56.1 t -63.51 -44.64 98.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.61 -39.96 77.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -60.12 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.7 t -53.72 -58.04 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.54 ' HB1' ' HB1' ' B' ' 126' ' ' ALA . . . -50.62 -49.33 56.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.08 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -57.47 -44.1 84.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.3 mt -64.67 -50.98 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.15 -35.22 64.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -67.4 -61.4 1.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.6 pttt -55.14 -28.31 51.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -76.29 -33.71 59.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 21.9 t90 -51.96 -30.76 26.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -70.14 -36.84 75.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.797 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -85.33 -1.34 56.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -95.8 121.66 37.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.29 -28.17 8.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -71.52 151.18 44.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -104.55 139.5 39.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.87 134.41 39.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.905 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.0 mtt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.85 0.357 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 1.3 p -131.58 163.82 27.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -61.93 164.81 6.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 54.05 83.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.466 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 4.4 t -54.04 -40.79 67.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 111.171 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.525 ' O ' HD12 ' B' ' 109' ' ' LEU . 1.4 m -67.93 -66.22 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 17.2 t0 51.52 30.75 6.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 7.5 m120 51.99 53.6 12.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.727 HD23 HG21 ' B' ' 112' ' ' VAL . 0.8 OUTLIER -90.57 6.87 41.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.007 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ILE . . . . . 0.663 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 7.5 mm -67.85 -50.36 33.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.599 0.714 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.1 Cg_endo -69.84 -9.77 26.87 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.306 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.727 HG21 HD23 ' B' ' 109' ' ' LEU . 78.3 t -67.77 -76.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' TYR . . . . . 0.547 ' O ' HD13 ' B' ' 117' ' ' LEU . 46.2 p90 -65.82 -26.3 67.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.31 -53.21 39.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 82.9 p -64.6 -50.68 66.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 85.1 mt -51.67 -43.39 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.203 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.695 ' O ' HG23 ' B' ' 121' ' ' VAL . 5.1 mp -63.16 -44.27 95.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.662 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -56.62 -47.3 79.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.566 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -62.13 -37.12 83.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.19 -42.73 66.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.695 HG23 ' O ' ' B' ' 117' ' ' LEU . 85.4 t -62.93 -44.36 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 118' ' ' ALA . 45.1 t -68.56 -43.21 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.53 -38.42 91.09 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -58.02 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.553 ' HA ' HD12 ' B' ' 128' ' ' ILE . 90.0 t -57.29 -57.89 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 126' ' ' ALA . . . . . 0.54 ' HB1' ' HB1' ' A' ' 26' ' ' ALA . . . -50.21 -51.16 46.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -51.8 -43.57 63.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.971 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.553 HD12 ' HA ' ' B' ' 125' ' ' VAL . 11.8 mt -63.19 -51.56 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -55.96 -34.68 65.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -67.81 -62.16 1.54 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -55.28 -27.99 50.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -76.13 -33.28 59.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 22.3 t90 -52.08 -31.44 30.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -70.48 -37.5 74.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 3.2 t -85.98 4.19 38.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 8.2 t -95.7 121.49 37.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.54 -28.32 7.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -71.91 151.32 43.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.941 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -104.5 139.64 39.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.93 134.3 38.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.878 0.37 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -156.14 136.51 13.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -88.02 -26.2 22.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.7 165.77 32.49 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.527 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.5 m -158.24 90.31 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 111.128 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.533 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER 71.59 3.27 4.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -49.94 -38.65 37.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.409 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.5 m120 -172.16 30.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.533 HD23 ' H ' ' A' ' 6' ' ' THR . 0.8 OUTLIER -83.57 -13.08 55.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.957 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 2.5 mt -53.6 -57.56 16.72 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.635 0.731 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.9 Cg_endo -69.72 -25.67 28.56 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.617 2.211 . . . . 0.0 112.355 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 8' ' ' ASN . 91.3 t -62.2 -62.34 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.197 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -66.42 -41.94 88.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.17 -51.79 50.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.067 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 97.4 p -64.26 -54.4 33.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.659 ' O ' HG23 ' A' ' 20' ' ' VAL . 84.9 mt -50.1 -44.55 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.6 mm? -65.24 -35.27 80.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -61.78 -52.31 64.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.815 ' HB1' ' HA ' ' B' ' 120' ' ' VAL . . . -58.56 -43.89 89.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.814 ' HA ' ' HB1' ' B' ' 119' ' ' ALA . 46.5 t -65.25 -61.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 17' ' ' LEU . 80.3 t -47.79 -49.44 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 18' ' ' ALA . 93.8 t -67.03 -43.44 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.72 -38.61 95.43 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.552 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.859 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -75.13 -53.94 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.961 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 21' ' ' VAL . 89.0 t -57.66 -51.97 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.33 -49.37 77.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -60.47 -59.83 4.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.859 HD11 HD23 ' A' ' 24' ' ' LEU . 15.2 mt -54.29 -52.3 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.9 -59.46 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -63.88 -23.74 67.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -61.57 -51.5 68.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -85.6 -33.83 21.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 31.2 t-105 -58.71 -22.18 56.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -59.61 -22.02 61.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -84.81 -1.22 56.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m 62.53 54.37 2.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -154.84 119.56 4.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -121.16 -39.65 2.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -170.99 172.6 5.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -158.27 140.64 14.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.926 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.819 0.343 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -157.58 137.53 12.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -85.68 -25.21 26.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.17 179.62 2.4 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 6.3 m -144.28 79.16 1.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 111.169 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.591 ' H ' HD23 ' B' ' 109' ' ' LEU . 0.7 OUTLIER 71.7 2.84 4.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -50.99 -38.22 49.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.4 33.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.591 HD23 ' H ' ' B' ' 106' ' ' THR . 1.1 pp -94.86 -10.81 30.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 2.2 mt -51.05 -57.62 13.2 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.3 Cg_endo -69.77 -28.4 25.23 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.747 2.298 . . . . 0.0 112.259 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.08 -66.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -60.95 -37.11 81.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -51.67 -56.04 15.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 90.2 p -65.27 -52.82 51.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' ILE . . . . . 0.668 ' O ' HG23 ' B' ' 120' ' ' VAL . 86.1 mt -48.42 -46.6 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.554 ' O ' HG23 ' B' ' 121' ' ' VAL . 3.6 mm? -64.76 -37.92 89.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.504 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -57.93 -44.17 86.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.814 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -66.17 -46.68 76.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' VAL . . . . . 0.815 ' HA ' ' HB1' ' A' ' 19' ' ' ALA . 15.5 t -63.62 -58.58 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.554 HG23 ' O ' ' B' ' 117' ' ' LEU . 95.4 t -47.41 -52.09 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 118' ' ' ALA . 96.5 t -66.22 -43.47 91.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.95 -36.23 89.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.524 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.71 HD23 HD11 ' B' ' 128' ' ' ILE . 0.2 OUTLIER -76.97 -55.31 5.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.771 0.32 . . . . 0.0 110.935 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 121' ' ' VAL . 95.3 t -57.05 -48.0 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.06 -53.69 51.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -54.39 -52.67 60.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.71 HD11 HD23 ' B' ' 124' ' ' LEU . 18.9 mt -62.36 -57.08 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.18 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -50.61 -59.16 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.17 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -53.01 -33.5 52.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -54.34 -47.6 72.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -86.79 -24.27 25.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 -57.9 -22.2 47.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -59.75 -23.4 63.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 1.4 t -89.37 3.74 51.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 4.4 m 61.57 54.79 2.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -154.2 117.29 4.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -123.3 -40.01 2.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -171.24 174.08 4.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -156.13 140.54 16.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.8 mtp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.819 0.343 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 m -133.06 149.15 52.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.3 ptt85 -167.75 -174.09 2.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.08 -120.44 9.55 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 t -124.77 86.44 2.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 111.082 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.628 ' HA ' HD12 ' A' ' 9' ' ' LEU . 1.4 m -60.02 -19.66 53.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.189 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -64.93 -17.05 64.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -119.03 -2.59 10.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' A' ' 6' ' ' THR . 89.1 mt -87.43 1.07 54.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.634 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 4.9 mm -45.89 -52.11 27.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.614 0.721 . . . . 0.0 111.132 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.6 Cg_endo -69.8 -37.9 8.44 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.617 2.212 . . . . 0.0 112.38 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.438 HG21 HD23 ' A' ' 9' ' ' LEU . 90.1 t -52.21 -62.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.185 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -65.99 -40.63 91.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.71 -53.56 45.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -62.49 -54.94 32.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.684 ' O ' HG23 ' A' ' 20' ' ' VAL . 89.6 mt -50.35 -44.0 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.615 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.1 mm? -62.97 -37.68 88.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -62.27 -57.45 11.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.81 -42.31 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 16' ' ' ILE . 57.3 t -65.35 -58.55 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.085 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 17' ' ' LEU . 87.6 t -53.28 -46.09 56.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 18' ' ' ALA . 99.4 t -62.31 -42.6 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.26 -41.9 97.03 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.517 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.774 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -71.76 -52.96 15.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 110.955 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 21' ' ' VAL . 73.4 t -58.81 -57.77 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.1 -57.66 8.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -49.85 -67.97 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.774 HD11 HD23 ' A' ' 24' ' ' LEU . 14.0 mt -49.25 -56.06 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.89 -61.44 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -60.7 -22.61 64.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -46.73 64.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.7 mtp85 -82.78 -25.45 32.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -75.98 -27.42 57.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -60.08 -27.83 67.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.8 m -92.62 -1.35 56.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.3 p -123.86 115.49 21.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -97.4 155.02 17.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.5 mp0 -140.33 165.81 26.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -89.93 -65.11 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -139.04 125.33 20.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.962 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 80.7 mtp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.836 0.351 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 2.7 m -132.81 150.72 52.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.168 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 13.0 ptt85 -166.08 -177.14 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 67.3 -122.14 17.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 1.7 t -126.91 86.51 2.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 111.12 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -61.79 -17.41 55.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.112 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -66.78 -17.09 64.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -119.17 -5.55 10.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 69.4 mt -95.17 29.67 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ILE . . . . . 0.655 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 7.8 mm -63.35 -50.85 72.17 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.621 0.724 . . . . 0.0 111.156 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' PRO . . . . . 0.655 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.5 Cg_endo -69.76 -38.12 8.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.659 2.239 . . . . 0.0 112.323 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 96.7 t -51.88 -63.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' TYR . . . . . 0.433 ' O ' HD23 ' B' ' 117' ' ' LEU . 7.3 m-85 -65.38 -40.31 93.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.74 -54.01 39.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 3.5 m -62.48 -54.98 32.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 89.5 mt -50.22 -43.68 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.64 ' O ' HG23 ' B' ' 121' ' ' VAL . 2.9 mm? -61.27 -41.97 97.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.648 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -59.21 -48.83 80.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.068 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.433 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -58.15 -39.79 79.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 1.1 t -73.07 -39.6 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.64 HG23 ' O ' ' B' ' 117' ' ' LEU . 69.7 t -67.19 -42.26 87.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.648 HG23 ' O ' ' B' ' 118' ' ' ALA . 49.0 t -71.43 -41.47 73.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.175 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.15 -39.14 96.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.612 HD23 HD11 ' B' ' 128' ' ' ILE . 0.2 OUTLIER -69.97 -54.01 15.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.861 0.362 . . . . 0.0 110.924 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 79.9 t -61.73 -57.51 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.39 -61.25 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -46.95 -70.29 0.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.612 HD11 HD23 ' B' ' 124' ' ' LEU . 19.6 mt -46.92 -57.82 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -46.25 -64.92 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -55.31 -25.24 33.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -43.97 66.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 56.3 mtp85 -80.92 -26.01 37.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -75.7 -29.25 58.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -61.39 -29.21 69.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 45.5 m -93.66 4.15 54.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 45.5 p -125.06 115.3 20.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -97.13 156.56 16.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 12.5 mp0 -138.99 165.59 26.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -90.06 -65.4 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -139.73 125.31 19.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 121.665 0.745 . . . . 0.0 111.128 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.8 Cg_endo -69.79 -22.55 31.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.3 t -66.15 -61.22 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.508 ' O ' HD23 ' A' ' 17' ' ' LEU . 7.1 m-85 -61.7 -41.32 97.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.05 -54.78 30.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.072 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.8 m -61.14 -54.44 44.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.709 ' O ' HG23 ' A' ' 20' ' ' VAL . 89.6 mt -50.54 -44.18 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.577 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.0 mm? -62.15 -38.08 87.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.649 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -62.04 -56.37 19.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.91 -43.15 63.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 16' ' ' ILE . 48.1 t -63.59 -57.66 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 17' ' ' LEU . 96.3 t -54.43 -45.53 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 18' ' ' ALA . 67.8 t -63.19 -41.34 92.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.99 -40.86 99.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.637 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -72.6 -50.08 27.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 21' ' ' VAL . 88.8 t -61.8 -56.32 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.54 -56.45 16.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -49.98 -66.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.637 HD11 HD23 ' A' ' 24' ' ' LEU . 19.3 mt -50.84 -54.98 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.94 -61.74 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -61.04 -22.66 64.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.66 -23.35 42.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . 0.549 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.665 0.745 . . . . 0.0 111.167 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 54.0 Cg_endo -69.72 -22.33 32.42 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.329 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 93.1 t -66.16 -63.98 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' TYR . . . . . 0.54 ' O ' HD23 ' B' ' 117' ' ' LEU . 7.3 m-85 -66.15 -40.28 90.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.59 -55.6 24.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.135 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 13.9 m -60.34 -54.93 39.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 89.3 mt -50.99 -43.15 25.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.636 ' O ' HG23 ' B' ' 121' ' ' VAL . 2.6 mm? -60.28 -42.04 94.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.601 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -60.62 -48.48 81.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.445 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -57.8 -37.83 74.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.078 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . 0.42 HG12 ' N ' ' B' ' 121' ' ' VAL . 0.9 OUTLIER -75.24 -44.04 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.636 HG23 ' O ' ' B' ' 117' ' ' LEU . 85.9 t -63.49 -43.48 98.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.601 HG23 ' O ' ' B' ' 118' ' ' ALA . 58.9 t -70.67 -41.56 77.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.61 -38.75 96.37 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.551 HD23 HD11 ' B' ' 128' ' ' ILE . 0.2 OUTLIER -71.2 -52.36 19.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 110.964 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 121' ' ' VAL . 85.0 t -62.57 -56.21 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.11 -59.43 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -47.38 -69.11 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.551 HD11 HD23 ' B' ' 124' ' ' LEU . 20.7 mt -48.9 -53.79 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.164 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -48.18 -68.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -56.94 -22.09 35.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -23.93 44.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.694 0.759 . . . . 0.0 111.125 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.6 Cg_endo -69.73 -28.87 24.85 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.367 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.6 t -62.87 -62.24 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -64.59 -41.54 96.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.64 -53.27 40.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.085 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.5 m -62.47 -54.27 42.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.692 ' O ' HG23 ' A' ' 20' ' ' VAL . 90.5 mt -50.45 -43.97 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.3 mm? -63.6 -37.24 86.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.681 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -62.4 -58.06 9.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.09 -46.01 61.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 16' ' ' ILE . 57.9 t -59.89 -55.14 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 17' ' ' LEU . 89.1 t -57.11 -42.65 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 18' ' ' ALA . 73.9 t -63.87 -41.9 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.065 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.411 ' HA2' ' HA2' ' B' ' 123' ' ' GLY . . . -61.17 -42.6 99.84 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.422 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.563 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -71.89 -48.76 43.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.897 -179.882 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 21' ' ' VAL . 95.1 t -62.57 -58.43 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.82 -55.12 21.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -51.4 -67.88 0.21 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.563 HD11 HD23 ' A' ' 24' ' ' LEU . 21.5 mt -50.31 -57.34 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.83 -61.23 1.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -58.9 -25.63 63.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -67.44 -51.77 47.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.951 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.579 0.704 . . . . 0.0 111.127 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.8 Cg_endo -69.78 -28.83 24.66 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.686 2.258 . . . . 0.0 112.349 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 94.8 t -65.03 -63.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -62.68 -38.63 91.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.96 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.49 -54.59 30.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.091 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 5.4 m -63.59 -54.0 42.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.795 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 90.4 mt -49.89 -44.2 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.653 ' O ' HG23 ' B' ' 121' ' ' VAL . 3.0 mm? -62.02 -42.25 98.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.679 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -57.61 -49.89 74.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.432 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -58.29 -40.93 83.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.05 -37.52 67.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 117' ' ' LEU . 70.1 t -69.16 -40.55 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.679 HG23 ' O ' ' B' ' 118' ' ' ALA . 51.8 t -70.85 -42.28 77.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' GLY . . . . . 0.411 ' HA2' ' HA2' ' A' ' 23' ' ' GLY . . . -62.23 -41.15 99.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.531 ' O ' HD12 ' B' ' 128' ' ' ILE . 0.1 OUTLIER -70.34 -50.89 34.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 110.926 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.52 HG23 ' O ' ' B' ' 121' ' ' VAL . 90.6 t -63.0 -59.2 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -49.96 -59.07 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -48.45 -71.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.531 HD12 ' O ' ' B' ' 124' ' ' LEU . 25.6 mt -47.0 -56.69 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.091 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -46.43 -65.0 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -56.76 -24.53 50.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -69.58 -52.43 26.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.543 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 2.4 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.639 0.733 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 54.1 Cg_endo -69.71 -39.82 6.14 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.72 2.28 . . . . 0.0 112.372 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.4 t -53.67 -58.57 3.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.187 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.501 ' O ' HD23 ' A' ' 17' ' ' LEU . 5.6 m-85 -55.85 -40.95 73.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.13 -55.28 25.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -61.41 -54.82 38.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.692 ' O ' HG23 ' A' ' 20' ' ' VAL . 89.9 mt -50.26 -44.06 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.607 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.9 mm? -62.96 -37.01 85.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.633 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -62.79 -57.53 10.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.75 -42.26 62.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 16' ' ' ILE . 60.5 t -65.47 -58.56 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.177 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 17' ' ' LEU . 89.7 t -53.29 -45.59 56.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 18' ' ' ALA . 99.4 t -62.74 -42.86 97.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.71 -40.81 95.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.792 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -72.75 -54.69 8.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 0.0 110.91 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 21' ' ' VAL . 89.9 t -57.26 -55.65 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.102 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.87 -57.98 8.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -49.14 -67.42 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.792 HD11 HD23 ' A' ' 24' ' ' LEU . 11.2 mt -49.73 -50.29 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.4 -61.63 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.051 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -65.5 -22.66 66.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.8 -49.52 77.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . 0.534 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 2.2 mt . . . . . 0 C--O 1.232 0.183 0 CA-C-O 121.613 0.72 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 54.2 Cg_endo -69.75 -41.84 3.93 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 0.0 112.389 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 29.5 t -54.55 -58.91 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' TYR . . . . . 0.528 ' O ' HD23 ' B' ' 117' ' ' LEU . 5.8 m-85 -56.66 -39.98 74.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.69 -54.88 27.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 81.1 p -61.71 -55.09 34.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 91.2 mt -49.96 -43.88 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.178 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.629 ' O ' HG23 ' B' ' 121' ' ' VAL . 2.9 mm? -61.53 -40.53 94.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.636 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -60.16 -49.99 75.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.456 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -57.91 -38.76 76.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 1.2 t -73.49 -41.32 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.105 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 117' ' ' LEU . 74.4 t -66.44 -42.09 89.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.636 HG23 ' O ' ' B' ' 118' ' ' ALA . 56.8 t -71.27 -41.57 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.87 -38.81 95.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.434 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.637 HD23 HD11 ' B' ' 128' ' ' ILE . 0.2 OUTLIER -70.84 -54.82 10.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.33 . . . . 0.0 110.876 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 92.3 t -60.61 -56.44 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.32 -60.12 3.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -47.41 -70.31 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.637 HD11 HD23 ' B' ' 124' ' ' LEU . 15.6 mt -47.2 -53.1 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -48.81 -63.76 1.0 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -58.27 -25.95 62.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.27 -48.17 82.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.627 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 2.0 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.587 0.708 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.627 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.4 Cg_endo -69.77 -46.44 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.648 2.232 . . . . 0.0 112.309 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -50.0 -62.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.55 ' O ' HD13 ' A' ' 17' ' ' LEU . 4.0 m-85 -59.8 -43.22 94.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.77 -54.11 38.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.9 p -62.39 -54.47 39.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.738 ' O ' HG23 ' A' ' 20' ' ' VAL . 88.8 mt -50.64 -43.58 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.55 HD13 ' O ' ' A' ' 13' ' ' TYR . 6.0 mp -59.07 -48.32 82.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -55.04 -48.26 73.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.589 ' HB1' ' HA ' ' B' ' 120' ' ' VAL . . . -55.98 -43.38 77.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 16' ' ' ILE . 16.9 t -62.85 -58.18 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.4 t -50.13 -50.45 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.192 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 18' ' ' ALA . 51.5 t -60.75 -44.29 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.3 -39.36 82.11 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.9 -59.68 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.46 ' HA ' HD12 ' A' ' 28' ' ' ILE . 92.5 t -53.72 -58.35 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.632 ' HB1' ' HB1' ' B' ' 126' ' ' ALA . . . -50.86 -50.12 57.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -54.74 -44.13 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 25' ' ' VAL . 10.4 mt -63.57 -50.08 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.77 -40.02 78.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.029 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -72.01 -25.98 62.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -82.77 -25.64 32.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . 0.634 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 3.8 mm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.589 0.709 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 54.6 Cg_endo -69.65 -42.65 3.32 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.706 2.27 . . . . 0.0 112.399 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 97.8 t -51.78 -62.32 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' TYR . . . . . 0.545 ' O ' HD13 ' B' ' 117' ' ' LEU . 5.3 m-85 -62.58 -42.04 99.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.87 -54.02 40.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.103 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 6.0 p -62.45 -56.11 21.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . 0.732 ' O ' HG23 ' B' ' 120' ' ' VAL . 90.3 mt -49.61 -43.69 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.545 HD13 ' O ' ' B' ' 113' ' ' TYR . 5.8 mp -58.47 -49.74 76.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.633 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -54.08 -49.34 69.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.614 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -54.18 -44.81 71.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 116' ' ' ILE . 15.0 t -62.77 -58.24 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 85.4 t -49.86 -50.61 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.633 HG23 ' O ' ' B' ' 118' ' ' ALA . 49.9 t -61.14 -44.06 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.168 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -56.43 -39.33 83.46 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.61 -59.73 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.94 0.4 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.465 ' HA ' HD12 ' B' ' 128' ' ' ILE . 96.7 t -54.49 -58.25 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . 0.632 ' HB1' ' HB1' ' A' ' 26' ' ' ALA . . . -50.5 -49.28 55.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -54.7 -44.55 73.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' B' ' 125' ' ' VAL . 10.5 mt -63.52 -50.18 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.13 -39.17 81.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -71.13 -26.5 63.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -82.42 -26.47 32.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.815 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.554 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 3.0 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.597 0.713 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.9 Cg_endo -69.8 -30.47 22.02 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.7 t -54.62 -63.1 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.43 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.8 m-85 -70.26 -39.99 74.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.39 -52.74 60.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.8 m -63.04 -54.77 32.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.731 ' O ' HG23 ' A' ' 20' ' ' VAL . 86.1 mt -51.17 -43.78 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.096 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 13' ' ' TYR . 2.4 mm? -58.37 -48.21 81.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -55.62 -51.57 66.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.407 ' CB ' HG13 ' B' ' 120' ' ' VAL . . . -51.82 -45.98 64.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 16' ' ' ILE . 17.0 t -62.35 -61.55 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.7 t -50.11 -49.81 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 18' ' ' ALA . 99.4 t -61.26 -41.05 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.183 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.68 -39.7 96.98 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.582 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.689 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -72.29 -52.7 15.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.327 . . . . 0.0 110.918 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.17 -55.39 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.61 -58.35 7.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.18 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -48.24 -67.26 0.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.689 HD11 HD23 ' A' ' 24' ' ' LEU . 14.0 mt -50.11 -54.49 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.63 -61.14 2.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.012 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -61.29 -22.6 65.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -69.52 -43.92 72.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.962 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.8 mtp85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.893 179.905 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . 0.534 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 3.0 mt . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 121.633 0.73 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.3 Cg_endo -69.86 -32.6 17.86 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.663 2.242 . . . . 0.0 112.36 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 69.3 t -53.34 -67.98 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' TYR . . . . . 0.415 ' O ' HD23 ' B' ' 117' ' ' LEU . 87.5 m-85 -64.31 -39.34 93.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.6 -54.78 32.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 66.6 m -61.78 -54.85 36.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . 0.725 ' O ' HG23 ' B' ' 120' ' ' VAL . 89.2 mt -50.62 -43.84 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.415 HD23 ' O ' ' B' ' 113' ' ' TYR . 2.3 mm? -58.64 -47.25 85.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.569 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -56.31 -51.37 68.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.061 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.17 -45.79 65.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . 0.725 HG23 ' O ' ' B' ' 116' ' ' ILE . 16.8 t -62.48 -61.45 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 60.5 t -50.04 -49.88 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.569 HG23 ' O ' ' B' ' 118' ' ' ALA . 98.3 t -61.37 -41.0 88.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.09 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.71 -40.49 98.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.705 HD23 HD11 ' B' ' 128' ' ' ILE . 0.2 OUTLIER -71.31 -52.63 17.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 110.944 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 77.6 t -60.39 -56.91 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.0 -58.4 6.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -48.27 -70.06 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.918 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.705 HD11 HD23 ' B' ' 124' ' ' LEU . 14.4 mt -47.85 -52.9 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -47.75 -63.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -61.41 -19.22 61.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -72.5 -44.98 61.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 32.2 mtp85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.59 0.71 . . . . 0.0 111.137 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 54.2 Cg_endo -69.73 -41.33 4.41 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.259 . . . . 0.0 112.331 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -51.72 -53.34 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.479 ' O ' HD13 ' A' ' 17' ' ' LEU . 6.4 m-85 -62.73 -41.72 99.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.37 -52.17 48.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.054 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -53.28 55.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.726 ' O ' HG23 ' A' ' 20' ' ' VAL . 89.7 mt -50.6 -43.73 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.089 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 21' ' ' VAL . 6.8 mp -61.37 -44.75 96.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.01 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.68 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -56.53 -55.28 35.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.9 -43.88 63.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 16' ' ' ILE . 46.4 t -64.1 -55.21 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 17' ' ' LEU . 97.3 t -53.55 -45.56 59.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 18' ' ' ALA . 47.8 t -64.54 -44.0 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.26 -39.93 83.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.29 -58.71 3.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.6 t -54.88 -58.53 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.227 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' B' ' 126' ' ' ALA . . . -50.35 -48.2 55.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -58.41 -42.5 87.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.8 mt -66.35 -52.03 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.35 -37.78 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -71.49 -51.21 24.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.89 -55.16 21.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . 0.54 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 1.4 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.59 0.71 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 54.4 Cg_endo -69.71 -40.51 5.32 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.662 2.241 . . . . 0.0 112.409 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 39.8 t -50.99 -54.96 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' TYR . . . . . 0.497 ' O ' HD13 ' B' ' 117' ' ' LEU . 5.6 m-85 -64.54 -41.89 96.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -51.43 -52.9 42.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.15 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -54.09 43.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 88.8 mt -50.69 -43.13 23.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.686 ' O ' HG23 ' B' ' 121' ' ' VAL . 6.6 mp -61.56 -43.43 98.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.666 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -57.98 -51.18 70.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.252 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.572 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -57.82 -36.43 72.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.072 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -73.36 -44.01 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.686 HG23 ' O ' ' B' ' 117' ' ' LEU . 85.9 t -62.97 -42.59 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 118' ' ' ALA . 42.4 t -69.39 -43.09 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.187 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.72 -38.34 91.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -57.46 4.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.611 ' HA ' HD12 ' B' ' 128' ' ' ILE . 91.3 t -57.86 -57.95 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' A' ' 26' ' ' ALA . . . -50.08 -51.06 45.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -52.01 -41.18 62.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' B' ' 125' ' ' VAL . 13.1 mt -65.4 -52.82 47.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -53.1 -38.29 62.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -71.52 -51.83 21.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.99 -55.57 22.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.549 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 121.658 0.742 . . . . 0.0 111.157 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 54.5 Cg_endo -69.8 -33.52 16.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.252 . . . . 0.0 112.373 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.8 t -51.59 -61.03 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.52 ' O ' HD23 ' A' ' 17' ' ' LEU . 7.4 m-85 -59.88 -43.24 94.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.06 -53.98 35.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.5 p -61.72 -53.18 59.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 20' ' ' VAL . 89.2 mt -51.06 -43.42 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.617 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.2 mm? -61.74 -41.88 98.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.648 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -59.43 -55.86 29.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.079 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.55 -43.19 62.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 16' ' ' ILE . 47.9 t -65.01 -56.66 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 17' ' ' LEU . 95.6 t -52.67 -46.32 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 18' ' ' ALA . 50.1 t -63.61 -43.64 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.77 -39.67 87.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.546 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.642 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -70.96 -57.39 4.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 110.91 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 85.0 t -55.62 -57.3 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' B' ' 126' ' ' ALA . . . -50.58 -55.06 17.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -50.06 -65.7 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.642 HD11 HD23 ' A' ' 24' ' ' LEU . 7.2 mt -50.13 -54.4 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.27 -27.29 34.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -84.97 -27.57 26.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 tttm -81.4 -53.75 6.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . 0.55 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.679 0.752 . . . . 0.0 111.122 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.1 Cg_endo -69.77 -34.03 15.37 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 94.8 t -53.04 -62.15 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' TYR . . . . . 0.525 ' O ' HD23 ' B' ' 117' ' ' LEU . 7.3 m-85 -60.77 -41.43 95.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -51.6 -54.74 24.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 59.6 p -60.99 -54.37 45.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 89.5 mt -50.54 -43.12 22.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.67 ' O ' HG23 ' B' ' 121' ' ' VAL . 3.1 mm? -61.35 -41.86 97.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.646 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -59.89 -52.68 64.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.084 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.56 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -56.63 -35.23 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . 0.415 HG12 ' N ' ' B' ' 121' ' ' VAL . 0.9 OUTLIER -74.69 -45.64 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.67 HG23 ' O ' ' B' ' 117' ' ' LEU . 97.4 t -61.93 -42.18 93.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 118' ' ' ALA . 44.1 t -69.53 -43.16 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.64 -37.91 90.35 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.602 HD23 HD11 ' B' ' 128' ' ' ILE . 0.2 OUTLIER -71.33 -57.56 4.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.894 0.378 . . . . 0.0 110.937 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 81.2 t -57.6 -56.18 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' A' ' 26' ' ' ALA . . . -51.37 -57.0 10.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -48.8 -65.8 0.51 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.602 HD11 HD23 ' B' ' 124' ' ' LEU . 9.9 mt -49.86 -54.49 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -54.03 -26.92 28.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -86.51 -26.54 24.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -81.85 -53.9 5.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.858 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.677 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 5.4 mm . . . . . 0 C--O 1.23 0.071 0 CA-C-O 121.672 0.748 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.677 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.5 Cg_endo -69.77 -15.3 37.0 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.3 t -62.34 -67.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.519 ' O ' HD13 ' A' ' 17' ' ' LEU . 45.6 p90 -74.45 -25.6 59.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.23 -48.97 63.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.066 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.7 p -69.09 -50.16 50.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.727 ' O ' HG23 ' A' ' 20' ' ' VAL . 73.8 mt -51.81 -44.2 36.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.161 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.547 ' O ' HG23 ' A' ' 21' ' ' VAL . 6.1 mp -64.04 -46.79 82.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.696 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -54.05 -50.97 65.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.07 -46.86 78.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 16' ' ' ILE . 43.8 t -60.45 -53.81 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 17' ' ' LEU . 64.9 t -53.27 -47.22 57.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 18' ' ' ALA . 56.1 t -63.51 -44.64 98.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.61 -39.96 77.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -60.12 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.7 t -53.72 -58.04 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.54 ' HB1' ' HB1' ' B' ' 126' ' ' ALA . . . -50.62 -49.33 56.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.08 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -57.47 -44.1 84.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.3 mt -64.67 -50.98 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.15 -35.22 64.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -67.4 -61.4 1.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.6 pttt -55.14 -28.31 51.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . 0.663 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 7.5 mm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.599 0.714 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.1 Cg_endo -69.84 -9.77 26.87 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.306 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 78.3 t -67.77 -76.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' TYR . . . . . 0.547 ' O ' HD13 ' B' ' 117' ' ' LEU . 46.2 p90 -65.82 -26.3 67.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.31 -53.21 39.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 82.9 p -64.6 -50.68 66.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 85.1 mt -51.67 -43.39 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.203 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.695 ' O ' HG23 ' B' ' 121' ' ' VAL . 5.1 mp -63.16 -44.27 95.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.662 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -56.62 -47.3 79.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.566 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -62.13 -37.12 83.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.19 -42.73 66.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.695 HG23 ' O ' ' B' ' 117' ' ' LEU . 85.4 t -62.93 -44.36 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 118' ' ' ALA . 45.1 t -68.56 -43.21 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.53 -38.42 91.09 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -58.02 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.553 ' HA ' HD12 ' B' ' 128' ' ' ILE . 90.0 t -57.29 -57.89 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . 0.54 ' HB1' ' HB1' ' A' ' 26' ' ' ALA . . . -50.21 -51.16 46.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -51.8 -43.57 63.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.971 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.553 HD12 ' HA ' ' B' ' 125' ' ' VAL . 11.8 mt -63.19 -51.56 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -55.96 -34.68 65.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -67.81 -62.16 1.54 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -55.28 -27.99 50.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 2.5 mt . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 121.635 0.731 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.9 Cg_endo -69.72 -25.67 28.56 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.617 2.211 . . . . 0.0 112.355 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.2 -62.34 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.197 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -66.42 -41.94 88.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.17 -51.79 50.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.067 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 97.4 p -64.26 -54.4 33.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.659 ' O ' HG23 ' A' ' 20' ' ' VAL . 84.9 mt -50.1 -44.55 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.6 mm? -65.24 -35.27 80.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -61.78 -52.31 64.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.815 ' HB1' ' HA ' ' B' ' 120' ' ' VAL . . . -58.56 -43.89 89.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.814 ' HA ' ' HB1' ' B' ' 119' ' ' ALA . 46.5 t -65.25 -61.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 17' ' ' LEU . 80.3 t -47.79 -49.44 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 18' ' ' ALA . 93.8 t -67.03 -43.44 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.72 -38.61 95.43 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.552 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.859 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -75.13 -53.94 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.961 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 21' ' ' VAL . 89.0 t -57.66 -51.97 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.33 -49.37 77.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -60.47 -59.83 4.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.859 HD11 HD23 ' A' ' 24' ' ' LEU . 15.2 mt -54.29 -52.3 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.9 -59.46 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -63.88 -23.74 67.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -61.57 -51.5 68.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 2.2 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.602 0.715 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.3 Cg_endo -69.77 -28.4 25.23 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.747 2.298 . . . . 0.0 112.259 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.08 -66.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -60.95 -37.11 81.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -51.67 -56.04 15.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 90.2 p -65.27 -52.82 51.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . 0.668 ' O ' HG23 ' B' ' 120' ' ' VAL . 86.1 mt -48.42 -46.6 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.554 ' O ' HG23 ' B' ' 121' ' ' VAL . 3.6 mm? -64.76 -37.92 89.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.504 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -57.93 -44.17 86.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.814 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -66.17 -46.68 76.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . 0.815 ' HA ' ' HB1' ' A' ' 19' ' ' ALA . 15.5 t -63.62 -58.58 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.554 HG23 ' O ' ' B' ' 117' ' ' LEU . 95.4 t -47.41 -52.09 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 118' ' ' ALA . 96.5 t -66.22 -43.47 91.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.95 -36.23 89.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.524 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.71 HD23 HD11 ' B' ' 128' ' ' ILE . 0.2 OUTLIER -76.97 -55.31 5.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.771 0.32 . . . . 0.0 110.935 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 121' ' ' VAL . 95.3 t -57.05 -48.0 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.06 -53.69 51.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -54.39 -52.67 60.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.71 HD11 HD23 ' B' ' 124' ' ' LEU . 18.9 mt -62.36 -57.08 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.18 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -50.61 -59.16 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.17 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -53.01 -33.5 52.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -54.34 -47.6 72.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.634 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 4.9 mm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.614 0.721 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.6 Cg_endo -69.8 -37.9 8.44 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.617 2.212 . . . . 0.0 112.38 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.1 t -52.21 -62.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.185 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -65.99 -40.63 91.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.71 -53.56 45.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -62.49 -54.94 32.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.684 ' O ' HG23 ' A' ' 20' ' ' VAL . 89.6 mt -50.35 -44.0 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.615 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.1 mm? -62.97 -37.68 88.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -62.27 -57.45 11.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.81 -42.31 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 16' ' ' ILE . 57.3 t -65.35 -58.55 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.085 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 17' ' ' LEU . 87.6 t -53.28 -46.09 56.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 18' ' ' ALA . 99.4 t -62.31 -42.6 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.26 -41.9 97.03 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.517 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.774 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -71.76 -52.96 15.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 110.955 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 21' ' ' VAL . 73.4 t -58.81 -57.77 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.1 -57.66 8.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -49.85 -67.97 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.774 HD11 HD23 ' A' ' 24' ' ' LEU . 14.0 mt -49.25 -56.06 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.89 -61.44 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -60.7 -22.61 64.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -46.73 64.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.7 mtp85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . 0.655 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 7.8 mm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.621 0.724 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' PRO . . . . . 0.655 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.5 Cg_endo -69.76 -38.12 8.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.659 2.239 . . . . 0.0 112.323 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 96.7 t -51.88 -63.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' TYR . . . . . 0.433 ' O ' HD23 ' B' ' 117' ' ' LEU . 7.3 m-85 -65.38 -40.31 93.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.74 -54.01 39.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 3.5 m -62.48 -54.98 32.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 89.5 mt -50.22 -43.68 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.64 ' O ' HG23 ' B' ' 121' ' ' VAL . 2.9 mm? -61.27 -41.97 97.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.648 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -59.21 -48.83 80.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.068 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.433 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -58.15 -39.79 79.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 1.1 t -73.07 -39.6 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.64 HG23 ' O ' ' B' ' 117' ' ' LEU . 69.7 t -67.19 -42.26 87.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.648 HG23 ' O ' ' B' ' 118' ' ' ALA . 49.0 t -71.43 -41.47 73.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.175 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.15 -39.14 96.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.612 HD23 HD11 ' B' ' 128' ' ' ILE . 0.2 OUTLIER -69.97 -54.01 15.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.861 0.362 . . . . 0.0 110.924 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 79.9 t -61.73 -57.51 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.39 -61.25 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -46.95 -70.29 0.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.612 HD11 HD23 ' B' ' 124' ' ' LEU . 19.6 mt -46.92 -57.82 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -46.25 -64.92 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -55.31 -25.24 33.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -43.97 66.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 56.3 mtp85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.85 0.357 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.2 p -133.37 105.25 6.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -135.97 171.6 14.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.92 163.27 25.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.508 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 49.8 p -56.08 -53.48 56.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 111.147 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.51 176.82 11.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.9 t70 56.14 27.22 11.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.444 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -111.4 -45.45 3.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pp -96.61 -17.79 20.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.9 OUTLIER -50.46 -57.46 13.02 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.665 0.745 . . . . 0.0 111.128 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.8 Cg_endo -69.79 -22.55 31.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 8' ' ' ASN . 87.3 t -66.15 -61.22 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.508 ' O ' HD23 ' A' ' 17' ' ' LEU . 7.1 m-85 -61.7 -41.32 97.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.05 -54.78 30.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.072 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.8 m -61.14 -54.44 44.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.709 ' O ' HG23 ' A' ' 20' ' ' VAL . 89.6 mt -50.54 -44.18 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.577 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.0 mm? -62.15 -38.08 87.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.649 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -62.04 -56.37 19.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.91 -43.15 63.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 16' ' ' ILE . 48.1 t -63.59 -57.66 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 17' ' ' LEU . 96.3 t -54.43 -45.53 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 18' ' ' ALA . 67.8 t -63.19 -41.34 92.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.99 -40.86 99.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.637 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -72.6 -50.08 27.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 21' ' ' VAL . 88.8 t -61.8 -56.32 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.54 -56.45 16.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -49.98 -66.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.637 HD11 HD23 ' A' ' 24' ' ' LEU . 19.3 mt -50.84 -54.98 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.94 -61.74 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -61.04 -22.66 64.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.66 -23.35 42.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -51.23 7.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -59.63 -24.77 64.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -59.78 -22.99 62.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.2 m -81.67 -1.27 46.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 t 62.25 28.67 17.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -91.13 105.74 18.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -82.25 144.88 30.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -162.54 151.28 14.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -64.16 117.97 7.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 11.1 p -133.03 104.09 6.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -137.15 172.95 12.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.38 161.39 21.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.497 ' O ' HG23 ' B' ' 106' ' ' THR . 49.2 p -57.88 -60.02 4.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 111.175 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.497 HG23 ' O ' ' B' ' 105' ' ' THR . 0.8 OUTLIER -160.77 176.94 10.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.139 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 t70 54.65 27.24 8.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . 0.403 ' O ' HG23 ' B' ' 112' ' ' VAL . 0.6 OUTLIER -111.11 -49.86 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 pp -104.27 -19.71 14.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . 0.549 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 0.9 OUTLIER -50.24 -57.36 13.07 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.665 0.745 . . . . 0.0 111.167 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 54.0 Cg_endo -69.72 -22.33 32.42 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.329 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 108' ' ' ASN . 93.1 t -66.16 -63.98 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' TYR . . . . . 0.54 ' O ' HD23 ' B' ' 117' ' ' LEU . 7.3 m-85 -66.15 -40.28 90.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.59 -55.6 24.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.135 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 13.9 m -60.34 -54.93 39.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 89.3 mt -50.99 -43.15 25.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.636 ' O ' HG23 ' B' ' 121' ' ' VAL . 2.6 mm? -60.28 -42.04 94.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.601 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -60.62 -48.48 81.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.445 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -57.8 -37.83 74.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.078 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . 0.42 HG12 ' N ' ' B' ' 121' ' ' VAL . 0.9 OUTLIER -75.24 -44.04 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.636 HG23 ' O ' ' B' ' 117' ' ' LEU . 85.9 t -63.49 -43.48 98.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.601 HG23 ' O ' ' B' ' 118' ' ' ALA . 58.9 t -70.67 -41.56 77.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.61 -38.75 96.37 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.551 HD23 HD11 ' B' ' 128' ' ' ILE . 0.2 OUTLIER -71.2 -52.36 19.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 110.964 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 121' ' ' VAL . 85.0 t -62.57 -56.21 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.11 -59.43 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -47.38 -69.11 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.551 HD11 HD23 ' B' ' 124' ' ' LEU . 20.7 mt -48.9 -53.79 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.164 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -48.18 -68.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -56.94 -22.09 35.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -23.93 44.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -49.93 7.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -58.12 -23.23 54.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -59.29 -23.03 62.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 63.6 m -85.23 3.81 37.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 3.1 t 61.54 26.9 16.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -91.83 104.77 17.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -83.03 143.88 30.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -162.92 149.96 12.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -64.55 118.33 8.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.1 mtp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.817 0.341 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -105.88 -68.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.06 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 59.5 mtt85 58.88 40.35 22.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.61 120.68 9.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -155.84 132.23 10.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 111.153 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.4 p -111.81 128.49 56.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.459 ' HB3' HD23 ' A' ' 9' ' ' LEU . 36.9 t70 -130.84 42.83 3.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.563 ' O ' HG23 ' A' ' 12' ' ' VAL . 9.4 m120 63.19 26.93 15.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.459 HD23 ' HB3' ' A' ' 7' ' ' ASP . 1.2 mm? -78.87 -20.32 49.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -50.34 -57.82 11.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.694 0.759 . . . . 0.0 111.125 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.6 Cg_endo -69.73 -28.87 24.85 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.367 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 8' ' ' ASN . 88.6 t -62.87 -62.24 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.422 ' CE1' HD12 ' A' ' 9' ' ' LEU . 5.3 m-85 -64.59 -41.54 96.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.64 -53.27 40.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.085 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.5 m -62.47 -54.27 42.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.692 ' O ' HG23 ' A' ' 20' ' ' VAL . 90.5 mt -50.45 -43.97 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.3 mm? -63.6 -37.24 86.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.681 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -62.4 -58.06 9.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.09 -46.01 61.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 16' ' ' ILE . 57.9 t -59.89 -55.14 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 17' ' ' LEU . 89.1 t -57.11 -42.65 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 18' ' ' ALA . 73.9 t -63.87 -41.9 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.065 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.411 ' HA2' ' HA2' ' B' ' 123' ' ' GLY . . . -61.17 -42.6 99.84 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.422 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.563 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -71.89 -48.76 43.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.897 -179.882 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 21' ' ' VAL . 95.1 t -62.57 -58.43 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.82 -55.12 21.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -51.4 -67.88 0.21 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.563 HD11 HD23 ' A' ' 24' ' ' LEU . 21.5 mt -50.31 -57.34 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.83 -61.23 1.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -58.9 -25.63 63.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -67.44 -51.77 47.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.951 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -32.12 68.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -67.57 -24.82 65.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -61.38 -25.96 67.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.0 m -82.66 -1.29 50.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.3 m 55.17 37.97 29.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -99.91 137.47 38.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -154.6 123.98 6.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -95.24 -68.45 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -85.09 113.47 21.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 36.5 mtp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.815 0.34 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 1.1 p -105.14 -68.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.086 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 58.52 43.59 19.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.01 118.94 10.08 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 8.9 t -158.38 133.98 8.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 111.186 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 39.2 p -109.59 122.7 48.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -138.53 46.84 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . 0.497 ' O ' HG23 ' B' ' 112' ' ' VAL . 7.4 m120 63.98 25.78 13.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.537 HD12 ' CE1' ' B' ' 113' ' ' TYR . 1.3 mm? -79.07 -20.16 49.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 0.8 OUTLIER -49.56 -57.64 11.44 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.579 0.704 . . . . 0.0 111.127 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.8 Cg_endo -69.78 -28.83 24.66 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.686 2.258 . . . . 0.0 112.349 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 108' ' ' ASN . 94.8 t -65.03 -63.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' TYR . . . . . 0.537 ' CE1' HD12 ' B' ' 109' ' ' LEU . 4.8 m-85 -62.68 -38.63 91.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.96 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.49 -54.59 30.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.091 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 5.4 m -63.59 -54.0 42.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.795 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 90.4 mt -49.89 -44.2 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.653 ' O ' HG23 ' B' ' 121' ' ' VAL . 3.0 mm? -62.02 -42.25 98.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.679 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -57.61 -49.89 74.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.432 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -58.29 -40.93 83.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.05 -37.52 67.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 117' ' ' LEU . 70.1 t -69.16 -40.55 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.679 HG23 ' O ' ' B' ' 118' ' ' ALA . 51.8 t -70.85 -42.28 77.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . 0.411 ' HA2' ' HA2' ' A' ' 23' ' ' GLY . . . -62.23 -41.15 99.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.531 ' O ' HD12 ' B' ' 128' ' ' ILE . 0.1 OUTLIER -70.34 -50.89 34.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 110.926 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.52 HG23 ' O ' ' B' ' 121' ' ' VAL . 90.6 t -63.0 -59.2 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -49.96 -59.07 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -48.45 -71.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.531 HD12 ' O ' ' B' ' 124' ' ' LEU . 25.6 mt -47.0 -56.69 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.091 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -46.43 -65.0 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -56.76 -24.53 50.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -69.58 -52.43 26.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -33.29 71.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 71.6 t-105 -70.5 -25.99 63.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -64.17 -27.96 69.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 37.4 m -85.17 3.49 38.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 25.2 m 51.59 37.04 18.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -99.71 138.72 36.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -153.61 123.84 7.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -95.15 -68.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -84.34 113.08 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.8 p -137.58 155.26 49.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -164.32 170.59 15.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.94 128.94 1.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.704 HG22 HG23 ' A' ' 6' ' ' THR . 86.3 m -72.53 -71.51 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.35 . . . . 0.0 111.171 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.704 HG23 HG22 ' A' ' 5' ' ' THR . 80.7 p -146.54 122.75 10.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.14 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -122.09 37.27 4.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 59.99 21.63 10.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.5 mt -87.86 -5.46 58.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.543 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 2.4 mt -51.2 -57.4 14.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 111.217 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 54.1 Cg_endo -69.71 -39.82 6.14 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.72 2.28 . . . . 0.0 112.372 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.4 t -53.67 -58.57 3.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.187 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.501 ' O ' HD23 ' A' ' 17' ' ' LEU . 5.6 m-85 -55.85 -40.95 73.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.13 -55.28 25.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -61.41 -54.82 38.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.692 ' O ' HG23 ' A' ' 20' ' ' VAL . 89.9 mt -50.26 -44.06 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.607 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.9 mm? -62.96 -37.01 85.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.633 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -62.79 -57.53 10.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.75 -42.26 62.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 16' ' ' ILE . 60.5 t -65.47 -58.56 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.177 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 17' ' ' LEU . 89.7 t -53.29 -45.59 56.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 18' ' ' ALA . 99.4 t -62.74 -42.86 97.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.71 -40.81 95.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.792 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -72.75 -54.69 8.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 0.0 110.91 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 21' ' ' VAL . 89.9 t -57.26 -55.65 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.102 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.87 -57.98 8.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -49.14 -67.42 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.792 HD11 HD23 ' A' ' 24' ' ' LEU . 11.2 mt -49.73 -50.29 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.4 -61.63 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.051 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -65.5 -22.66 66.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.8 -49.52 77.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -42.48 22.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -63.2 -21.62 66.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -58.92 -22.64 60.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.4 m -81.69 -1.76 48.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 t 50.6 72.88 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -147.64 133.86 19.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -89.17 140.96 28.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -155.02 152.14 29.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -51.77 126.44 17.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.797 0.332 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 23.8 p -137.14 155.2 49.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.177 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -164.07 171.19 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 155.62 129.57 1.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.708 HG22 HG23 ' B' ' 106' ' ' THR . 90.1 m -70.18 -71.04 0.26 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.86 0.362 . . . . 0.0 111.158 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.708 HG23 HG22 ' B' ' 105' ' ' THR . 81.4 p -146.38 122.24 10.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -126.74 38.61 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 5.9 m120 62.43 21.28 12.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 24.4 mt -88.34 -5.49 58.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . 0.534 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 2.2 mt -50.94 -57.4 13.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.613 0.72 . . . . 0.0 111.103 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 54.2 Cg_endo -69.75 -41.84 3.93 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 0.0 112.389 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 29.5 t -54.55 -58.91 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' TYR . . . . . 0.528 ' O ' HD23 ' B' ' 117' ' ' LEU . 5.8 m-85 -56.66 -39.98 74.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.69 -54.88 27.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 81.1 p -61.71 -55.09 34.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 91.2 mt -49.96 -43.88 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.178 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.629 ' O ' HG23 ' B' ' 121' ' ' VAL . 2.9 mm? -61.53 -40.53 94.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.636 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -60.16 -49.99 75.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.456 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -57.91 -38.76 76.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 1.2 t -73.49 -41.32 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.105 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 117' ' ' LEU . 74.4 t -66.44 -42.09 89.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.636 HG23 ' O ' ' B' ' 118' ' ' ALA . 56.8 t -71.27 -41.57 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.87 -38.81 95.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.434 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.637 HD23 HD11 ' B' ' 128' ' ' ILE . 0.2 OUTLIER -70.84 -54.82 10.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.33 . . . . 0.0 110.876 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 92.3 t -60.61 -56.44 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.32 -60.12 3.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -47.41 -70.31 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.637 HD11 HD23 ' B' ' 124' ' ' LEU . 15.6 mt -47.2 -53.1 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -48.81 -63.76 1.0 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -58.27 -25.95 62.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.27 -48.17 82.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -41.36 28.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -63.21 -19.42 64.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -60.96 -18.56 57.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 58.2 m -83.85 2.89 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 6.2 t 58.52 85.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -137.51 132.72 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -88.44 141.24 28.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -155.28 151.32 27.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -52.47 126.33 19.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.809 0.338 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.4 p -142.29 148.48 38.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.103 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -118.72 177.84 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' O ' HG23 ' A' ' 5' ' ' THR . . . 83.99 -132.65 11.23 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.502 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.676 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.3 p -155.44 134.78 12.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 111.117 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.417 ' O ' HG22 ' A' ' 6' ' ' THR . 8.4 m -72.05 -4.39 28.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -59.12 119.34 7.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m120 68.91 10.06 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 5' ' ' THR . 6.9 mt -98.31 -0.26 44.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.627 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 2.0 mm -52.8 -51.91 69.65 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.587 0.708 . . . . 0.0 111.144 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.627 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.4 Cg_endo -69.77 -46.44 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.648 2.232 . . . . 0.0 112.309 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -50.0 -62.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.55 ' O ' HD13 ' A' ' 17' ' ' LEU . 4.0 m-85 -59.8 -43.22 94.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.77 -54.11 38.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.9 p -62.39 -54.47 39.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.738 ' O ' HG23 ' A' ' 20' ' ' VAL . 88.8 mt -50.64 -43.58 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.55 HD13 ' O ' ' A' ' 13' ' ' TYR . 6.0 mp -59.07 -48.32 82.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -55.04 -48.26 73.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.589 ' HB1' ' HA ' ' B' ' 120' ' ' VAL . . . -55.98 -43.38 77.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 16' ' ' ILE . 16.9 t -62.85 -58.18 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.4 t -50.13 -50.45 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.192 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 18' ' ' ALA . 51.5 t -60.75 -44.29 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.3 -39.36 82.11 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.9 -59.68 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.46 ' HA ' HD12 ' A' ' 28' ' ' ILE . 92.5 t -53.72 -58.35 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.632 ' HB1' ' HB1' ' B' ' 126' ' ' ALA . . . -50.86 -50.12 57.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -54.74 -44.13 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 25' ' ' VAL . 10.4 mt -63.57 -50.08 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.77 -40.02 78.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.029 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -72.01 -25.98 62.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -82.77 -25.64 32.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -80.53 -46.01 16.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -57.28 -28.46 63.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -71.85 -26.32 62.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -85.93 -1.29 57.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.826 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.1 m 53.4 37.59 25.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -54.96 138.38 43.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -58.81 -29.17 66.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -69.04 104.65 2.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -91.1 -48.54 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.895 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.906 0.384 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 44.7 p -139.65 148.39 42.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.241 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -117.61 -179.55 3.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.834 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . 0.47 ' O ' HG23 ' B' ' 105' ' ' THR . . . 84.82 -139.34 17.75 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.509 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.746 ' O ' HD12 ' B' ' 109' ' ' LEU . 1.6 p -157.5 135.07 10.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 111.183 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 10.8 m -72.94 -7.24 50.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -55.28 121.45 8.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.7 m120 64.28 15.45 9.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.746 HD12 ' O ' ' B' ' 105' ' ' THR . 14.8 mt -118.64 25.99 9.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . 0.634 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 3.8 mm -66.01 -51.57 45.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.589 0.709 . . . . 0.0 111.121 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 54.6 Cg_endo -69.65 -42.65 3.32 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.706 2.27 . . . . 0.0 112.399 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.532 HG21 HD23 ' B' ' 109' ' ' LEU . 97.8 t -51.78 -62.32 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' TYR . . . . . 0.545 ' O ' HD13 ' B' ' 117' ' ' LEU . 5.3 m-85 -62.58 -42.04 99.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.87 -54.02 40.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.103 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 6.0 p -62.45 -56.11 21.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . 0.732 ' O ' HG23 ' B' ' 120' ' ' VAL . 90.3 mt -49.61 -43.69 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.545 HD13 ' O ' ' B' ' 113' ' ' TYR . 5.8 mp -58.47 -49.74 76.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.633 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -54.08 -49.34 69.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.614 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -54.18 -44.81 71.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 116' ' ' ILE . 15.0 t -62.77 -58.24 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 85.4 t -49.86 -50.61 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.633 HG23 ' O ' ' B' ' 118' ' ' ALA . 49.9 t -61.14 -44.06 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.168 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -56.43 -39.33 83.46 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.61 -59.73 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.94 0.4 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.465 ' HA ' HD12 ' B' ' 128' ' ' ILE . 96.7 t -54.49 -58.25 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . 0.632 ' HB1' ' HB1' ' A' ' 26' ' ' ALA . . . -50.5 -49.28 55.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -54.7 -44.55 73.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' B' ' 125' ' ' VAL . 10.5 mt -63.52 -50.18 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.13 -39.17 81.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -71.13 -26.5 63.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -82.42 -26.47 32.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -82.29 -45.72 14.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.815 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -56.97 -28.63 62.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -72.28 -28.46 63.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 2.8 t -88.03 4.22 45.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 10.4 m 53.3 36.08 21.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -56.48 137.68 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -59.53 -29.16 67.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -69.18 105.33 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -90.77 -48.46 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.827 0.346 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 p -55.65 116.28 2.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -124.05 141.38 52.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.43 35.55 2.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p -142.09 106.92 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 111.155 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.525 HG23 ' H ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -44.87 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.525 ' H ' HG23 ' A' ' 6' ' ' THR . 15.4 t0 54.41 35.61 23.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.486 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.2 m120 53.2 40.74 31.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.571 HD22 ' OH ' ' A' ' 13' ' ' TYR . 71.7 mt -92.37 -13.65 29.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.554 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 3.0 mt -53.94 -56.96 20.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 111.174 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.9 Cg_endo -69.8 -30.47 22.02 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 8' ' ' ASN . 85.7 t -54.62 -63.1 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.571 ' OH ' HD22 ' A' ' 9' ' ' LEU . 1.8 m-85 -70.26 -39.99 74.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.39 -52.74 60.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.8 m -63.04 -54.77 32.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.731 ' O ' HG23 ' A' ' 20' ' ' VAL . 86.1 mt -51.17 -43.78 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.096 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 13' ' ' TYR . 2.4 mm? -58.37 -48.21 81.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -55.62 -51.57 66.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' CB ' HG13 ' B' ' 120' ' ' VAL . . . -51.82 -45.98 64.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 16' ' ' ILE . 17.0 t -62.35 -61.55 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.7 t -50.11 -49.81 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 18' ' ' ALA . 99.4 t -61.26 -41.05 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.183 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.68 -39.7 96.98 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.582 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.689 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -72.29 -52.7 15.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.327 . . . . 0.0 110.918 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.17 -55.39 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.61 -58.35 7.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.18 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -48.24 -67.26 0.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.689 HD11 HD23 ' A' ' 24' ' ' LEU . 14.0 mt -50.11 -54.49 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.63 -61.14 2.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.012 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -61.29 -22.6 65.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -69.52 -43.92 72.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.962 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.8 mtp85 -85.12 -31.46 23.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -57.4 -32.15 66.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -59.24 -43.57 92.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -92.79 -1.17 57.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.8 m -142.16 100.83 3.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.794 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -26.97 48.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -81.74 156.45 24.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -112.78 -27.68 8.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.21 -44.07 64.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 2.3 mmt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 1.2 p -55.28 116.38 2.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -123.74 142.04 51.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.23 33.74 2.28 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.517 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 2.6 p -144.01 104.68 4.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.906 0.384 . . . . 0.0 111.145 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.531 HG23 ' H ' ' B' ' 107' ' ' ASP . 0.1 OUTLIER -44.91 -75.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.199 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.531 ' H ' HG23 ' B' ' 106' ' ' THR . 15.3 t0 51.49 35.29 14.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . 0.45 ' O ' HG23 ' B' ' 112' ' ' VAL . 10.6 m120 52.47 38.88 26.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.475 HD22 ' HE1' ' B' ' 113' ' ' TYR . 63.7 mt -92.77 -14.38 27.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . 0.534 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 3.0 mt -51.25 -57.43 14.08 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.633 0.73 . . . . 0.0 111.212 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.3 Cg_endo -69.86 -32.6 17.86 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.663 2.242 . . . . 0.0 112.36 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 108' ' ' ASN . 69.3 t -53.34 -67.98 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' TYR . . . . . 0.475 ' HE1' HD22 ' B' ' 109' ' ' LEU . 87.5 m-85 -64.31 -39.34 93.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.6 -54.78 32.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 66.6 m -61.78 -54.85 36.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . 0.725 ' O ' HG23 ' B' ' 120' ' ' VAL . 89.2 mt -50.62 -43.84 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.415 HD23 ' O ' ' B' ' 113' ' ' TYR . 2.3 mm? -58.64 -47.25 85.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.569 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -56.31 -51.37 68.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.061 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.17 -45.79 65.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . 0.725 HG23 ' O ' ' B' ' 116' ' ' ILE . 16.8 t -62.48 -61.45 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 60.5 t -50.04 -49.88 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.569 HG23 ' O ' ' B' ' 118' ' ' ALA . 98.3 t -61.37 -41.0 88.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.09 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.71 -40.49 98.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.705 HD23 HD11 ' B' ' 128' ' ' ILE . 0.2 OUTLIER -71.31 -52.63 17.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 110.944 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 77.6 t -60.39 -56.91 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.0 -58.4 6.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -48.27 -70.06 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.918 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.705 HD11 HD23 ' B' ' 124' ' ' LEU . 14.4 mt -47.85 -52.9 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -47.75 -63.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -61.41 -19.22 61.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -72.5 -44.98 61.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 32.2 mtp85 -85.59 -30.44 23.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 15.5 t-105 -56.74 -31.09 64.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -58.28 -43.83 88.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 2.4 t -93.17 4.11 54.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 67.8 m -142.48 100.84 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -26.48 50.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -81.76 156.31 25.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -112.89 -27.64 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.09 -43.99 64.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.919 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mtt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.811 0.339 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m -133.68 150.19 51.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -127.74 153.58 46.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.71 108.69 0.35 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.4 t -67.64 -24.52 65.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.652 ' O ' HD12 ' A' ' 10' ' ' ILE . 3.4 m -55.87 -24.32 36.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.81 -24.69 23.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -108.65 -18.51 13.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.9 mt -82.4 -7.0 59.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.652 HD12 ' O ' ' A' ' 6' ' ' THR . 0.8 OUTLIER -54.39 -58.03 15.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.71 . . . . 0.0 111.137 179.832 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 54.2 Cg_endo -69.73 -41.33 4.41 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.259 . . . . 0.0 112.331 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -51.72 -53.34 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.479 ' O ' HD13 ' A' ' 17' ' ' LEU . 6.4 m-85 -62.73 -41.72 99.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.37 -52.17 48.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.054 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -53.28 55.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.726 ' O ' HG23 ' A' ' 20' ' ' VAL . 89.7 mt -50.6 -43.73 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.089 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 21' ' ' VAL . 6.8 mp -61.37 -44.75 96.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.01 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.68 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -56.53 -55.28 35.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.9 -43.88 63.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 16' ' ' ILE . 46.4 t -64.1 -55.21 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 17' ' ' LEU . 97.3 t -53.55 -45.56 59.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 18' ' ' ALA . 47.8 t -64.54 -44.0 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.26 -39.93 83.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.29 -58.71 3.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.6 t -54.88 -58.53 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.227 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' B' ' 126' ' ' ALA . . . -50.35 -48.2 55.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -58.41 -42.5 87.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.8 mt -66.35 -52.03 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.35 -37.78 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -71.49 -51.21 24.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.89 -55.16 21.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -57.46 -38.36 74.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -65.47 -34.95 79.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -60.99 -41.04 95.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.7 m -88.29 -1.27 57.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.6 t -90.08 145.07 25.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.08 -26.23 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -57.74 150.3 20.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -140.0 173.3 11.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.0 157.3 43.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.899 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 5.8 mtt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 3.0 m -134.07 149.83 51.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -128.21 150.74 49.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.827 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -166.34 107.99 0.3 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 10.3 t -67.84 -29.38 68.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.9 0.381 . . . . 0.0 111.181 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 2.4 m -59.34 -21.73 60.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -19.55 53.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . 0.43 ' HB2' HD12 ' B' ' 110' ' ' ILE . 1.7 m120 -92.03 5.73 49.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 42.5 mt 47.38 32.16 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . 0.54 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 1.4 mt -53.89 -57.52 17.37 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.59 0.71 . . . . 0.0 111.163 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 54.4 Cg_endo -69.71 -40.51 5.32 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.662 2.241 . . . . 0.0 112.409 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 39.8 t -50.99 -54.96 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' TYR . . . . . 0.497 ' O ' HD13 ' B' ' 117' ' ' LEU . 5.6 m-85 -64.54 -41.89 96.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -51.43 -52.9 42.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.15 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -54.09 43.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 88.8 mt -50.69 -43.13 23.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.686 ' O ' HG23 ' B' ' 121' ' ' VAL . 6.6 mp -61.56 -43.43 98.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.666 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -57.98 -51.18 70.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.252 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.572 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -57.82 -36.43 72.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.072 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -73.36 -44.01 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.686 HG23 ' O ' ' B' ' 117' ' ' LEU . 85.9 t -62.97 -42.59 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 118' ' ' ALA . 42.4 t -69.39 -43.09 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.187 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.72 -38.34 91.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -57.46 4.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.611 ' HA ' HD12 ' B' ' 128' ' ' ILE . 91.3 t -57.86 -57.95 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' A' ' 26' ' ' ALA . . . -50.08 -51.06 45.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -52.01 -41.18 62.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' B' ' 125' ' ' VAL . 13.1 mt -65.4 -52.82 47.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -53.1 -38.29 62.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -71.52 -51.83 21.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.99 -55.57 22.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -57.82 -37.77 74.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 52.4 t90 -64.97 -34.59 78.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -60.6 -41.59 95.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 36.5 m -88.38 4.23 47.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 11.7 t -90.06 145.37 25.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.68 -26.25 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -57.98 150.4 20.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -140.05 173.16 11.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -145.95 157.34 43.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.956 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.919 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.921 0.391 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.12 106.51 3.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -142.6 105.21 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.05 96.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 6' ' ' THR . 1.4 p -149.65 129.57 13.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 111.068 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER 177.98 171.12 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.15 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.417 ' HA ' HD13 ' A' ' 10' ' ' ILE . 1.3 t70 64.77 43.01 4.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.17 -50.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.2 mt -88.43 -11.91 44.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.549 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -52.45 -57.33 15.98 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 0.0 111.157 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 54.5 Cg_endo -69.8 -33.52 16.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.252 . . . . 0.0 112.373 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.8 t -51.59 -61.03 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.52 ' O ' HD23 ' A' ' 17' ' ' LEU . 7.4 m-85 -59.88 -43.24 94.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.06 -53.98 35.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.5 p -61.72 -53.18 59.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 20' ' ' VAL . 89.2 mt -51.06 -43.42 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.617 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.2 mm? -61.74 -41.88 98.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.648 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -59.43 -55.86 29.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.079 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.55 -43.19 62.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 16' ' ' ILE . 47.9 t -65.01 -56.66 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 17' ' ' LEU . 95.6 t -52.67 -46.32 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 18' ' ' ALA . 50.1 t -63.61 -43.64 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.77 -39.67 87.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.546 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.642 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -70.96 -57.39 4.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 110.91 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 85.0 t -55.62 -57.3 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' B' ' 126' ' ' ALA . . . -50.58 -55.06 17.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -50.06 -65.7 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.642 HD11 HD23 ' A' ' 24' ' ' LEU . 7.2 mt -50.13 -54.4 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.27 -27.29 34.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -84.97 -27.57 26.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 tttm -81.4 -53.75 6.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -52.78 -51.38 60.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 66.6 t-105 -55.27 -31.17 61.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -69.49 -25.64 64.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.8 t -84.5 -1.34 55.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 t 60.24 39.11 19.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.6 114.83 27.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -110.66 139.76 45.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -148.31 164.86 32.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -63.87 -50.09 70.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.879 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.88 0.372 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.94 107.96 4.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -140.47 106.09 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 65.85 93.71 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 1.7 p -153.33 128.96 10.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.151 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.09 174.35 0.27 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 t70 67.05 22.22 10.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -165.98 -44.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 13.2 mt -88.09 9.75 21.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . 0.55 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 0.9 OUTLIER -48.95 -57.36 11.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.679 0.752 . . . . 0.0 111.122 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.1 Cg_endo -69.77 -34.03 15.37 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 94.8 t -53.04 -62.15 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' TYR . . . . . 0.525 ' O ' HD23 ' B' ' 117' ' ' LEU . 7.3 m-85 -60.77 -41.43 95.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -51.6 -54.74 24.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 59.6 p -60.99 -54.37 45.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 89.5 mt -50.54 -43.12 22.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.67 ' O ' HG23 ' B' ' 121' ' ' VAL . 3.1 mm? -61.35 -41.86 97.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.646 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -59.89 -52.68 64.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.084 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.56 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -56.63 -35.23 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . 0.415 HG12 ' N ' ' B' ' 121' ' ' VAL . 0.9 OUTLIER -74.69 -45.64 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.67 HG23 ' O ' ' B' ' 117' ' ' LEU . 97.4 t -61.93 -42.18 93.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 118' ' ' ALA . 44.1 t -69.53 -43.16 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.64 -37.91 90.35 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.602 HD23 HD11 ' B' ' 128' ' ' ILE . 0.2 OUTLIER -71.33 -57.56 4.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.894 0.378 . . . . 0.0 110.937 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 81.2 t -57.6 -56.18 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' A' ' 26' ' ' ALA . . . -51.37 -57.0 10.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -48.8 -65.8 0.51 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.602 HD11 HD23 ' B' ' 124' ' ' LEU . 9.9 mt -49.86 -54.49 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -54.03 -26.92 28.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -86.51 -26.54 24.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -81.85 -53.9 5.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -52.06 -51.76 55.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -57.23 -32.2 66.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -69.26 -26.77 64.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 3.8 t -85.59 4.04 37.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 3.3 t 59.06 38.21 24.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.35 114.92 27.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -110.97 139.36 46.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -148.34 164.91 32.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -64.11 -50.04 69.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.973 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.971 179.852 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mtt . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.874 0.369 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -130.84 164.17 25.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -60.98 164.37 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.6 81.81 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.451 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.7 t -55.7 -40.6 72.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.933 0.396 . . . . 0.0 111.173 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.505 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.6 m -67.19 -67.05 0.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 t0 51.09 30.44 5.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 m120 51.56 56.0 8.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.935 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 6' ' ' THR . 0.7 OUTLIER -89.32 -1.47 58.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.677 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 5.4 mm -64.79 -50.2 65.01 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.672 0.748 . . . . 0.0 111.096 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.677 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.5 Cg_endo -69.77 -15.3 37.0 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.445 HG23 ' HA ' ' A' ' 9' ' ' LEU . 75.3 t -62.34 -67.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.519 ' O ' HD13 ' A' ' 17' ' ' LEU . 45.6 p90 -74.45 -25.6 59.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.23 -48.97 63.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.066 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.7 p -69.09 -50.16 50.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.727 ' O ' HG23 ' A' ' 20' ' ' VAL . 73.8 mt -51.81 -44.2 36.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.161 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.547 ' O ' HG23 ' A' ' 21' ' ' VAL . 6.1 mp -64.04 -46.79 82.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.696 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -54.05 -50.97 65.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.07 -46.86 78.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 16' ' ' ILE . 43.8 t -60.45 -53.81 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 17' ' ' LEU . 64.9 t -53.27 -47.22 57.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 18' ' ' ALA . 56.1 t -63.51 -44.64 98.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.61 -39.96 77.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -60.12 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.7 t -53.72 -58.04 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.54 ' HB1' ' HB1' ' B' ' 126' ' ' ALA . . . -50.62 -49.33 56.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.08 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -57.47 -44.1 84.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.3 mt -64.67 -50.98 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.15 -35.22 64.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -67.4 -61.4 1.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.6 pttt -55.14 -28.31 51.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -76.29 -33.71 59.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 21.9 t90 -51.96 -30.76 26.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -70.14 -36.84 75.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.797 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -85.33 -1.34 56.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -95.8 121.66 37.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.29 -28.17 8.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -71.52 151.18 44.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -104.55 139.5 39.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.87 134.41 39.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.905 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.0 mtt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.85 0.357 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 1.3 p -131.58 163.82 27.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -61.93 164.81 6.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 54.05 83.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.466 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 4.4 t -54.04 -40.79 67.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 111.171 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.525 ' O ' HD12 ' B' ' 109' ' ' LEU . 1.4 m -67.93 -66.22 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 17.2 t0 51.52 30.75 6.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 7.5 m120 51.99 53.6 12.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.727 HD23 HG21 ' B' ' 112' ' ' VAL . 0.8 OUTLIER -90.57 6.87 41.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.007 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . 0.663 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 7.5 mm -67.85 -50.36 33.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.599 0.714 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.1 Cg_endo -69.84 -9.77 26.87 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.306 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.727 HG21 HD23 ' B' ' 109' ' ' LEU . 78.3 t -67.77 -76.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' TYR . . . . . 0.547 ' O ' HD13 ' B' ' 117' ' ' LEU . 46.2 p90 -65.82 -26.3 67.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.31 -53.21 39.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 82.9 p -64.6 -50.68 66.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 85.1 mt -51.67 -43.39 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.203 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.695 ' O ' HG23 ' B' ' 121' ' ' VAL . 5.1 mp -63.16 -44.27 95.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.662 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -56.62 -47.3 79.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.566 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -62.13 -37.12 83.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.19 -42.73 66.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.695 HG23 ' O ' ' B' ' 117' ' ' LEU . 85.4 t -62.93 -44.36 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 118' ' ' ALA . 45.1 t -68.56 -43.21 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.53 -38.42 91.09 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -58.02 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.553 ' HA ' HD12 ' B' ' 128' ' ' ILE . 90.0 t -57.29 -57.89 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . 0.54 ' HB1' ' HB1' ' A' ' 26' ' ' ALA . . . -50.21 -51.16 46.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -51.8 -43.57 63.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.971 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.553 HD12 ' HA ' ' B' ' 125' ' ' VAL . 11.8 mt -63.19 -51.56 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -55.96 -34.68 65.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -67.81 -62.16 1.54 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -55.28 -27.99 50.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -76.13 -33.28 59.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 22.3 t90 -52.08 -31.44 30.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -70.48 -37.5 74.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 3.2 t -85.98 4.19 38.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 8.2 t -95.7 121.49 37.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.54 -28.32 7.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -71.91 151.32 43.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.941 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -104.5 139.64 39.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.93 134.3 38.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.878 0.37 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -156.14 136.51 13.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -88.02 -26.2 22.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.7 165.77 32.49 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.527 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.5 m -158.24 90.31 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 111.128 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.533 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER 71.59 3.27 4.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -49.94 -38.65 37.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.409 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.5 m120 -172.16 30.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.533 HD23 ' H ' ' A' ' 6' ' ' THR . 0.8 OUTLIER -83.57 -13.08 55.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.957 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 2.5 mt -53.6 -57.56 16.72 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.635 0.731 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.9 Cg_endo -69.72 -25.67 28.56 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.617 2.211 . . . . 0.0 112.355 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 8' ' ' ASN . 91.3 t -62.2 -62.34 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.197 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -66.42 -41.94 88.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.17 -51.79 50.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.067 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 97.4 p -64.26 -54.4 33.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.659 ' O ' HG23 ' A' ' 20' ' ' VAL . 84.9 mt -50.1 -44.55 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.6 mm? -65.24 -35.27 80.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -61.78 -52.31 64.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.815 ' HB1' ' HA ' ' B' ' 120' ' ' VAL . . . -58.56 -43.89 89.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.814 ' HA ' ' HB1' ' B' ' 119' ' ' ALA . 46.5 t -65.25 -61.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 17' ' ' LEU . 80.3 t -47.79 -49.44 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 18' ' ' ALA . 93.8 t -67.03 -43.44 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.72 -38.61 95.43 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.552 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.859 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -75.13 -53.94 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.961 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 21' ' ' VAL . 89.0 t -57.66 -51.97 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.33 -49.37 77.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -60.47 -59.83 4.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.859 HD11 HD23 ' A' ' 24' ' ' LEU . 15.2 mt -54.29 -52.3 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.9 -59.46 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -63.88 -23.74 67.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -61.57 -51.5 68.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -85.6 -33.83 21.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 31.2 t-105 -58.71 -22.18 56.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -59.61 -22.02 61.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -84.81 -1.22 56.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m 62.53 54.37 2.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -154.84 119.56 4.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -121.16 -39.65 2.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -170.99 172.6 5.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -158.27 140.64 14.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.926 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.819 0.343 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -157.58 137.53 12.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -85.68 -25.21 26.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.17 179.62 2.4 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 6.3 m -144.28 79.16 1.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 111.169 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.591 ' H ' HD23 ' B' ' 109' ' ' LEU . 0.7 OUTLIER 71.7 2.84 4.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -50.99 -38.22 49.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.4 33.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.591 HD23 ' H ' ' B' ' 106' ' ' THR . 1.1 pp -94.86 -10.81 30.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 2.2 mt -51.05 -57.62 13.2 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.3 Cg_endo -69.77 -28.4 25.23 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.747 2.298 . . . . 0.0 112.259 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.08 -66.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -60.95 -37.11 81.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -51.67 -56.04 15.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 90.2 p -65.27 -52.82 51.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . 0.668 ' O ' HG23 ' B' ' 120' ' ' VAL . 86.1 mt -48.42 -46.6 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.554 ' O ' HG23 ' B' ' 121' ' ' VAL . 3.6 mm? -64.76 -37.92 89.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.504 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -57.93 -44.17 86.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.814 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -66.17 -46.68 76.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . 0.815 ' HA ' ' HB1' ' A' ' 19' ' ' ALA . 15.5 t -63.62 -58.58 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.554 HG23 ' O ' ' B' ' 117' ' ' LEU . 95.4 t -47.41 -52.09 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 118' ' ' ALA . 96.5 t -66.22 -43.47 91.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.95 -36.23 89.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.524 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.71 HD23 HD11 ' B' ' 128' ' ' ILE . 0.2 OUTLIER -76.97 -55.31 5.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.771 0.32 . . . . 0.0 110.935 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 121' ' ' VAL . 95.3 t -57.05 -48.0 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.06 -53.69 51.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -54.39 -52.67 60.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.71 HD11 HD23 ' B' ' 124' ' ' LEU . 18.9 mt -62.36 -57.08 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.18 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -50.61 -59.16 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.17 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -53.01 -33.5 52.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -54.34 -47.6 72.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -86.79 -24.27 25.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 -57.9 -22.2 47.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -59.75 -23.4 63.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 1.4 t -89.37 3.74 51.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 4.4 m 61.57 54.79 2.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -154.2 117.29 4.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -123.3 -40.01 2.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -171.24 174.08 4.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -156.13 140.54 16.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.8 mtp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.819 0.343 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 m -133.06 149.15 52.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.3 ptt85 -167.75 -174.09 2.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.08 -120.44 9.55 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 t -124.77 86.44 2.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 111.082 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.628 ' HA ' HD12 ' A' ' 9' ' ' LEU . 1.4 m -60.02 -19.66 53.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.189 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -64.93 -17.05 64.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -119.03 -2.59 10.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' A' ' 6' ' ' THR . 89.1 mt -87.43 1.07 54.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.634 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 4.9 mm -45.89 -52.11 27.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.614 0.721 . . . . 0.0 111.132 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 10' ' ' ILE . 53.6 Cg_endo -69.8 -37.9 8.44 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.617 2.212 . . . . 0.0 112.38 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.438 HG21 HD23 ' A' ' 9' ' ' LEU . 90.1 t -52.21 -62.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.185 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -65.99 -40.63 91.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.71 -53.56 45.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -62.49 -54.94 32.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.684 ' O ' HG23 ' A' ' 20' ' ' VAL . 89.6 mt -50.35 -44.0 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.615 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.1 mm? -62.97 -37.68 88.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -62.27 -57.45 11.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.81 -42.31 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 16' ' ' ILE . 57.3 t -65.35 -58.55 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.085 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 17' ' ' LEU . 87.6 t -53.28 -46.09 56.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 18' ' ' ALA . 99.4 t -62.31 -42.6 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.26 -41.9 97.03 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.517 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.774 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -71.76 -52.96 15.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 110.955 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 21' ' ' VAL . 73.4 t -58.81 -57.77 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.1 -57.66 8.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -49.85 -67.97 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.774 HD11 HD23 ' A' ' 24' ' ' LEU . 14.0 mt -49.25 -56.06 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.89 -61.44 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -60.7 -22.61 64.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -46.73 64.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.7 mtp85 -82.78 -25.45 32.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -75.98 -27.42 57.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -60.08 -27.83 67.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.8 m -92.62 -1.35 56.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.3 p -123.86 115.49 21.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -97.4 155.02 17.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.5 mp0 -140.33 165.81 26.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -89.93 -65.11 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -139.04 125.33 20.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.962 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 80.7 mtp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.836 0.351 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 2.7 m -132.81 150.72 52.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.168 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 13.0 ptt85 -166.08 -177.14 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 67.3 -122.14 17.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 1.7 t -126.91 86.51 2.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 111.12 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -61.79 -17.41 55.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.112 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -66.78 -17.09 64.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -119.17 -5.55 10.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 69.4 mt -95.17 29.67 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . 0.655 ' N ' ' HD2' ' B' ' 111' ' ' PRO . 7.8 mm -63.35 -50.85 72.17 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.621 0.724 . . . . 0.0 111.156 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' PRO . . . . . 0.655 ' HD2' ' N ' ' B' ' 110' ' ' ILE . 53.5 Cg_endo -69.76 -38.12 8.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.659 2.239 . . . . 0.0 112.323 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 96.7 t -51.88 -63.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' TYR . . . . . 0.433 ' O ' HD23 ' B' ' 117' ' ' LEU . 7.3 m-85 -65.38 -40.31 93.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.74 -54.01 39.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 3.5 m -62.48 -54.98 32.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 89.5 mt -50.22 -43.68 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.64 ' O ' HG23 ' B' ' 121' ' ' VAL . 2.9 mm? -61.27 -41.97 97.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.648 ' O ' HG23 ' B' ' 122' ' ' VAL . . . -59.21 -48.83 80.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.068 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.433 ' HB1' ' HA ' ' A' ' 20' ' ' VAL . . . -58.15 -39.79 79.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 1.1 t -73.07 -39.6 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.64 HG23 ' O ' ' B' ' 117' ' ' LEU . 69.7 t -67.19 -42.26 87.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.648 HG23 ' O ' ' B' ' 118' ' ' ALA . 49.0 t -71.43 -41.47 73.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.175 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.15 -39.14 96.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.612 HD23 HD11 ' B' ' 128' ' ' ILE . 0.2 OUTLIER -69.97 -54.01 15.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.861 0.362 . . . . 0.0 110.924 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 79.9 t -61.73 -57.51 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.39 -61.25 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -46.95 -70.29 0.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.612 HD11 HD23 ' B' ' 124' ' ' LEU . 19.6 mt -46.92 -57.82 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -46.25 -64.92 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -55.31 -25.24 33.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -43.97 66.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 56.3 mtp85 -80.92 -26.01 37.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -75.7 -29.25 58.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -61.39 -29.21 69.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 45.5 m -93.66 4.15 54.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 45.5 p -125.06 115.3 20.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -97.13 156.56 16.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 12.5 mp0 -138.99 165.59 26.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -90.06 -65.4 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -139.73 125.31 19.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.954 . . . . . . . . 0 0 . 1 stop_ save_