data_2dll_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 2dll _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.541 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 6.9 tp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.787 0.327 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 9' ' ' LEU . 1.7 tmt_? -35.42 -61.84 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' TRP . 32.3 tp60 -75.6 -56.6 4.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.564 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 72.6 t90 -36.81 -61.05 0.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.413 ' N ' ' CE3' ' A' ' 12' ' ' TRP . 33.2 tp -53.09 -56.3 17.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.3 mt -46.84 -40.91 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -61.68 -37.27 83.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -65.99 -40.79 91.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.534 HD12 ' CZ2' ' A' ' 27' ' ' TRP . 7.1 mt -68.99 -50.64 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.484 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 5.2 t0 -56.09 -42.81 77.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.2 p -64.17 -32.74 74.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.799 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.18 28.77 73.94 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.436 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -71.57 -41.87 68.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.533 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 3.5 m-85 -91.47 142.63 27.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.665 0.745 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 154.95 67.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.16 -48.3 3.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.42 ' C ' HG11 ' A' ' 26' ' ' VAL . 17.4 tp -63.37 102.05 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.369 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.42 HG11 ' C ' ' A' ' 25' ' ' LEU . 25.2 m -141.87 148.45 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.613 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 99.3 m95 -79.4 111.13 15.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -52.18 -29.91 24.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.428 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 39.2 p30 -123.28 177.83 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.47 -30.44 23.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.428 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 13.6 pt-20 -60.84 -13.65 16.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.613 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 20.3 mmtm 64.72 33.5 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 m -98.5 -40.43 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -112.57 139.06 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.496 ' CD2' HD13 ' A' ' 17' ' ' ILE . 27.0 p90 -144.95 174.55 10.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -127.04 137.1 53.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.2 tt -114.38 130.72 23.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.67 0.748 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 115.53 4.14 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.841 0.353 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.46 -44.3 68.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.069 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.533 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 22.6 tp -87.36 -45.86 10.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -53.43 -50.45 65.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.39 -51.93 24.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.92 -49.64 70.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.564 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 15.6 t-105 -43.48 -58.83 2.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.34 -67.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.4 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.587 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.2 Cg_exo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 121.549 0.562 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.2 Cg_exo -47.97 -49.57 13.6 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.642 2.228 . . . . 0.0 112.3 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 95.4 m -59.04 -46.59 87.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 23.1 m0 -64.38 -58.64 5.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -52.89 -54.37 35.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 35.8 m -57.24 -48.34 79.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -56.47 14.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.476 HD11 ' CG ' ' A' ' 59' ' ' TRP . 25.7 tp -66.59 -62.27 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -39.19 -41.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.8 t -69.3 -48.86 60.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.46 -44.57 84.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.7 tp -48.36 -46.64 37.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.38 -44.85 23.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -50.69 -43.69 57.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.9 t -52.58 107.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -68.94 -23.07 64.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.2 p-10 -80.16 12.84 2.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -119.1 138.84 52.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.465 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 3.8 tp10 -110.2 150.01 29.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -91.95 110.16 21.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 97' ' ' GLU . 34.6 mt -96.27 18.03 14.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.6 p -36.68 -28.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 95' ' ' LEU . 39.2 mt-10 -51.8 -43.92 63.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -91.38 -22.02 20.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.6 p -52.07 140.04 21.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.52 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 9.6 mm-40 -127.21 103.89 7.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.1 mt -111.27 12.34 21.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -117.69 16.75 14.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.52 ' CD1' ' O ' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -114.57 172.2 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 t -38.87 -59.41 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.409 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 8.1 t70 -110.56 102.1 50.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.601 0.715 . . . . 0.0 110.913 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 105' ' ' ASP . 53.8 Cg_endo -69.78 149.66 67.07 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.694 2.262 . . . . 0.0 112.329 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -167.7 151.98 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -111.64 122.77 48.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.433 HG11 ' N ' ' A' ' 110' ' ' TYR . 36.3 t -88.98 142.23 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.165 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.433 ' N ' HG11 ' A' ' 109' ' ' VAL . 15.8 m-85 -142.04 154.69 45.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.964 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 32.3 ttt180 -121.42 124.42 44.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 69.5 mt -74.07 102.21 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 91' ' ' ASP . 3.0 t -78.09 122.47 85.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.711 . . . . 0.0 111.151 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -172.07 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.682 2.254 . . . . 0.0 112.335 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.855 0.359 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ttm105 -41.22 -67.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.468 ' C ' ' CD ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -59.6 -54.1 50.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -39.09 -50.92 1.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.76 -47.37 75.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 88.7 mt -53.64 -39.75 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.02 -41.11 97.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -68.03 -40.07 82.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.55 HD11 ' CE2' ' A' ' 35' ' ' PHE . 11.5 mt -68.71 -44.21 82.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -57.83 -45.6 85.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 p -62.12 -34.95 77.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.84 25.08 71.74 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -68.8 -44.62 73.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -83.23 137.48 42.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.662 0.744 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 146.41 60.71 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.22 -38.73 3.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.1 tp -75.42 101.97 4.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.883 0.373 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.4 m -145.69 151.87 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.59 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 98.3 m95 -78.13 121.34 24.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -67.23 -28.11 67.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.421 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 34.3 p30 -121.61 171.45 8.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -78.57 -33.3 47.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 13.9 pt-20 -57.36 -12.78 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.59 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 23.3 mmtm 62.29 33.98 16.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.1 t -104.27 -38.03 7.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.6 mt -108.73 140.04 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.55 ' CE2' HD11 ' A' ' 17' ' ' ILE . 9.8 p90 -150.02 174.61 12.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -127.37 134.53 49.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.432 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 7.0 tt -114.05 135.28 22.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 111.189 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.432 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 54.1 Cg_endo -69.77 116.0 4.35 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.552 ' CE3' ' HD2' ' A' ' 108' ' ' LYS . 2.7 t-105 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.429 ' O ' ' CB ' ' A' ' 57' ' ' LYS . . . . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.764 0.316 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.38 -57.25 13.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.9 tp -74.5 -53.67 9.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -48.03 -48.83 32.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 11.4 tptp -46.76 -57.93 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -39.04 -58.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -51.88 -51.62 55.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.562 ' HB3' ' CD1' ' A' ' 78' ' ' TRP . . . -38.85 -32.3 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.085 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.1 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.591 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.5 Cg_exo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 121.608 0.587 . . . . 0.0 112.335 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 64.5 Cg_exo -48.03 -43.32 30.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.357 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.6 m -68.63 -45.26 72.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.086 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.567 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 4.8 m0 -63.52 -58.49 6.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -41.57 -42.61 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 81' ' ' ARG . 90.7 m -76.37 -52.84 9.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 81' ' ' ARG . 2.2 mmp_? -34.06 -37.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 85' ' ' ALA . 14.7 tp -79.77 -65.27 1.02 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 82' ' ' LEU . 1.6 ptp180 -34.2 -37.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 82' ' ' LEU . 2.8 t -71.89 -49.94 33.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 82' ' ' LEU . . . -56.89 -51.09 70.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.103 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.566 HD21 ' CE1' ' A' ' 110' ' ' TYR . 11.5 tp -41.6 -62.46 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -58.13 -42.42 85.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -55.15 -40.09 70.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.2 t -52.05 122.58 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -83.67 -26.64 29.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 113' ' ' VAL . 5.0 m-20 -81.95 16.7 1.78 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -121.52 142.54 49.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 11.9 tt0 -110.22 147.18 34.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -87.83 108.39 19.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 97' ' ' GLU . 22.5 mt -96.16 18.02 14.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 95' ' ' LEU . 12.2 p -37.85 -25.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 95' ' ' LEU . 39.0 mt-10 -54.1 -43.69 70.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -92.17 -22.01 20.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.5 p -52.0 134.49 32.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.538 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 14.4 mm-40 -124.31 103.56 8.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.401 HD21 ' N ' ' A' ' 107' ' ' TYR . 6.0 mt -115.54 13.39 16.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.71 16.84 14.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -115.7 -179.58 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.1 t -41.03 -59.33 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.403 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 74.6 m-20 -114.17 105.55 54.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 105' ' ' ASP . 53.7 Cg_endo -69.74 151.63 69.22 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 49.1 p90 -168.0 156.72 9.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.552 ' HD2' ' CE3' ' A' ' 39' ' ' TRP . 41.6 mttm -117.45 125.17 50.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.472 HG11 ' N ' ' A' ' 110' ' ' TYR . 26.5 t -94.05 143.56 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.566 ' CE1' HD21 ' A' ' 86' ' ' LEU . 22.6 m-85 -143.48 158.08 43.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -124.21 126.29 45.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 75.8 mt -73.28 102.04 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 91' ' ' ASP . 6.2 t -78.85 125.59 83.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.72 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 179.0 4.05 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.534 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . 6.0 tp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.795 0.331 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 9' ' ' LEU . 2.1 tmt_? -35.17 -66.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' TRP . 4.1 tp60 -72.72 -53.15 12.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.516 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 90.9 t90 -36.67 -61.32 0.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.9 tp -53.12 -58.12 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.5 mt -45.43 -42.02 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -62.3 -36.43 82.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -68.25 -41.13 81.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.56 HG23 ' CD1' ' A' ' 27' ' ' TRP . 16.5 mt -65.99 -44.72 92.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -58.31 -45.43 88.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.9 p -63.82 -34.23 77.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.6 29.0 73.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.442 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -72.14 -40.1 68.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.709 0.29 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 2.9 m-85 -90.11 144.18 30.87 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.659 0.742 . . . . 0.0 110.945 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 151.99 69.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.57 -41.17 2.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.446 ' CD1' HG12 ' A' ' 17' ' ' ILE . 15.5 tp -65.95 105.73 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.9 m -155.14 147.29 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.566 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 95.8 m95 -77.91 119.54 21.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.419 ' CD ' HG11 ' A' ' 109' ' ' VAL . 17.9 mt-10 -61.32 -30.18 70.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.409 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 31.3 p30 -121.33 176.46 5.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' N ' ' CD ' ' A' ' 30' ' ' GLU . 20.5 mp0 -83.34 -32.11 26.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.409 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.6 pt-20 -57.91 -11.99 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HD3' ' CD1' ' A' ' 27' ' ' TRP . 23.4 mmtm 63.62 34.79 12.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.1 t -106.04 -37.03 6.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.469 HG23 ' CD1' ' A' ' 95' ' ' LEU . 28.4 mt -107.52 137.42 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.454 ' N ' HG22 ' A' ' 34' ' ' ILE . 16.4 p90 -148.83 174.42 12.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -132.07 133.95 44.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.4 tt -114.19 134.17 22.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 106.39 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.555 ' CZ2' ' HE3' ' A' ' 79' ' ' LYS . 7.3 t-105 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.738 0.304 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.69 -52.36 60.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.563 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 7.4 tp -54.15 -46.51 72.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -57.77 -60.74 3.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.565 ' HG3' ' CE3' ' A' ' 78' ' ' TRP . 21.4 mtpp -47.3 -47.65 25.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.17 -44.22 32.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.534 ' CZ2' ' HB2' ' A' ' 9' ' ' LEU . 31.7 t-105 -67.99 -53.58 24.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.46 -49.32 61.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.08 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.599 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 66.9 Cg_exo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 121.537 0.557 . . . . 0.0 112.32 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.0 Cg_exo -48.0 -44.78 26.94 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.727 2.284 . . . . 0.0 112.32 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.8 m -60.99 -48.26 82.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.571 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 6.2 m0 -66.28 -58.49 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.555 ' HE3' ' CZ2' ' A' ' 39' ' ' TRP . 4.3 tmtm? -38.67 -50.49 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 81' ' ' ARG . 91.3 m -68.49 -55.31 12.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.455 ' NE ' ' HA ' ' A' ' 81' ' ' ARG . 2.5 mmp_? -35.82 -56.11 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.517 HD12 ' CD1' ' A' ' 59' ' ' TRP . 67.0 tp -67.69 -56.72 8.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' LEU . 50.5 ttt180 -35.28 -47.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.3 t -55.53 -57.78 10.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -47.62 -48.34 28.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.416 HD23 ' CE1' ' A' ' 110' ' ' TYR . 11.8 tp -47.77 -63.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -58.44 -43.58 88.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -53.12 -40.92 64.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.7 t -52.32 124.05 12.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -90.6 -29.25 17.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.1 m-20 -80.32 14.12 2.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -114.89 145.2 42.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -109.82 150.92 27.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -92.48 109.1 20.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 97' ' ' GLU . 20.8 mt -96.14 18.09 14.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 95' ' ' LEU . 11.5 p -35.42 -30.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 95' ' ' LEU . 2.1 mp0 -53.24 -43.84 67.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -86.78 -22.84 25.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.408 ' HB2' ' HA ' ' A' ' 96' ' ' VAL . 3.4 m -52.12 133.84 33.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.437 ' CB ' HD13 ' A' ' 103' ' ' ILE . 29.1 mm-40 -124.59 104.83 8.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.4 mt -106.39 -16.17 14.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.12 12.9 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.437 HD13 ' CB ' ' A' ' 100' ' ' GLN . 33.7 pt -108.47 160.54 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 103' ' ' ILE . 5.5 t -36.28 -55.13 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -112.73 102.02 53.84 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.673 0.749 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.01 58.84 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -158.66 148.19 19.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.431 ' HE3' ' CE2' ' A' ' 39' ' ' TRP . 49.7 mttt -107.41 129.97 54.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 95' ' ' LEU . 19.3 t -101.04 143.09 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.416 ' CE1' HD23 ' A' ' 86' ' ' LEU . 27.0 m-85 -143.77 152.34 41.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -118.17 127.44 53.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 77.4 mt -74.24 102.08 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 91' ' ' ASP . 4.3 t -76.98 122.64 86.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.651 0.739 . . . . 0.0 111.104 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -174.27 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.321 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.85 0.357 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -43.54 -64.67 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -67.75 -53.88 23.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.551 ' CH2' HD12 ' A' ' 55' ' ' LEU . 91.1 t90 -37.66 -61.17 0.64 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.8 tp -53.06 -58.82 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.0 mt -42.69 -40.91 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -65.38 -38.72 90.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -68.51 -40.95 80.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.468 HG23 ' NE1' ' A' ' 27' ' ' TRP . 11.8 mt -65.9 -50.41 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -51.55 -45.43 63.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.0 p -63.03 -36.13 82.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.43 25.06 71.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm -70.66 -39.35 73.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.519 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 4.5 m-85 -86.39 138.46 34.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.676 0.751 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 146.77 61.22 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.32 -37.65 3.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.5 tp -76.21 107.49 8.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 0.0 110.937 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.3 m -153.73 151.94 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.622 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 90.9 m95 -77.45 125.2 28.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -65.81 -26.53 67.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.421 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 28.8 p30 -125.03 174.5 7.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -83.47 -25.81 30.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.6 pt-20 -63.08 -11.59 20.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.622 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 2.9 mmmm 62.45 35.57 14.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -105.45 -38.08 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 mt -111.42 143.63 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -149.31 169.6 20.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.05 132.79 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.9 tt -114.82 134.42 22.44 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.576 0.703 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 112.79 3.17 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.526 ' CD2' ' HD2' ' A' ' 108' ' ' LYS . 3.8 t-105 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.79 0.329 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -37.08 -46.68 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.551 HD12 ' CH2' ' A' ' 12' ' ' TRP . 14.1 tp -64.5 -67.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.557 ' CD1' HD21 ' A' ' 82' ' ' LEU . 61.7 m-85 -47.62 -59.14 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.495 ' HG3' ' CZ2' ' A' ' 78' ' ' TRP . 78.0 tttt -44.79 -50.17 10.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.03 -40.56 45.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -59.04 -41.23 87.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.22 -54.03 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.588 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.8 Cg_exo . . . . . 0 N--CA 1.465 -0.181 0 CA-C-O 121.653 0.605 . . . . 0.0 112.377 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 64.9 Cg_exo -47.93 -22.26 3.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 35.2 m -87.35 -47.03 9.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.553 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 5.7 m0 -64.24 -53.27 51.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.547 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 32.8 mtpt -48.97 -46.36 43.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.1 m -67.62 -51.8 45.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.423 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 19.0 mmt180 -56.69 -20.38 21.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.557 HD21 ' CD1' ' A' ' 56' ' ' PHE . 21.6 tp -95.24 -40.3 9.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.8 ttm105 -69.66 -33.78 73.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 81' ' ' ARG . 12.1 p -58.28 -50.01 75.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.3 -48.54 41.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.6 tp -43.17 -36.14 1.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -83.14 -46.47 12.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -56.8 -30.77 64.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 t -52.02 117.12 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -87.16 -24.34 24.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 113' ' ' VAL . 30.8 m-20 -79.88 12.34 2.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -118.26 143.97 46.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.441 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 4.0 tp10 -110.04 151.15 27.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -92.75 109.96 21.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 97' ' ' GLU . 40.9 mt -97.46 17.97 16.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.4 p -34.96 -30.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 95' ' ' LEU . 43.6 mt-10 -49.38 -43.96 44.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -88.79 -25.81 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.8 p -52.01 130.65 30.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.446 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 17.2 mm-40 -119.07 102.55 8.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.7 mt -102.94 -16.93 15.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -83.83 18.0 2.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.401 HD11 ' CB ' ' A' ' 100' ' ' GLN . 23.3 pt -114.03 163.57 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.5 m -38.55 -49.9 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.84 101.98 51.62 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.611 0.719 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.467 ' HG2' ' O ' ' A' ' 39' ' ' TRP . 53.7 Cg_endo -69.76 147.58 63.19 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 47.3 p90 -158.02 144.28 17.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.526 ' HD2' ' CD2' ' A' ' 39' ' ' TRP . 12.4 mttm -106.99 123.7 48.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.917 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.469 HG12 ' CD1' ' A' ' 95' ' ' LEU . 42.8 t -94.39 138.8 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -138.08 152.88 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -118.34 127.4 53.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.5 mt -72.63 101.99 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 91' ' ' ASP . 5.9 t -79.48 122.56 84.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 0.0 111.2 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -176.41 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.434 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 4.8 tp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.823 0.344 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' LEU . 30.5 ttt-85 -37.48 -65.39 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' TRP . 22.7 tp60 -69.01 -56.14 8.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.566 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 90.3 t90 -36.61 -61.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.526 HD22 ' CE2' ' A' ' 35' ' ' PHE . 24.7 tp -53.59 -61.17 2.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt -42.77 -41.33 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.16 -40.32 97.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -67.93 -40.41 83.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.519 HG23 ' CE2' ' A' ' 27' ' ' TRP . 9.0 mt -64.87 -50.38 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -52.34 -51.04 61.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.6 p -56.47 -43.87 80.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.56 27.93 64.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -71.34 -40.49 70.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -90.57 143.14 28.69 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.675 0.75 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 152.44 69.62 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.99 -40.56 2.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.1 tp -69.96 102.03 1.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.9 m -149.67 148.27 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.605 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 98.7 m95 -77.34 121.54 23.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -64.71 -22.76 67.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.429 ' ND2' ' CG ' ' A' ' 31' ' ' GLU . 31.8 p30 -130.4 177.44 7.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -85.5 -23.56 27.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.429 ' CG ' ' ND2' ' A' ' 29' ' ' ASN . 13.3 pt-20 -68.0 -8.28 36.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.605 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 22.5 mmtm 59.81 32.12 21.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 t -101.15 -39.23 7.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.472 HG23 ' CD1' ' A' ' 95' ' ' LEU . 22.0 mt -109.57 137.28 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.526 ' CE2' HD22 ' A' ' 13' ' ' LEU . 6.4 p90 -147.04 173.73 12.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -130.94 132.93 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.454 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 9.4 tt -114.54 135.72 22.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.638 0.732 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.454 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.5 Cg_endo -69.82 110.98 2.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.308 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.776 0.322 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.81 94.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.541 HD11 ' CH2' ' A' ' 12' ' ' TRP . 53.0 tp -61.86 -52.49 63.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.466 ' CD2' HD23 ' A' ' 82' ' ' LEU . 39.3 m-85 -63.39 -43.74 96.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.537 ' HD2' ' CH2' ' A' ' 78' ' ' TRP . 15.1 tptt -50.45 -48.32 56.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.4 89.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.566 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 26.4 t-105 -49.52 -59.35 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.82 -66.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.08 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.598 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.9 Cg_exo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 121.592 0.58 . . . . 0.0 112.318 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 63.3 Cg_exo -47.96 -51.57 9.69 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.366 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.7 m -54.04 -47.12 71.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.562 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 9.7 m0 -65.63 -48.37 72.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.99 -54.85 39.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.515 ' HA ' ' CD ' ' A' ' 83' ' ' ARG . 56.9 m -62.62 -42.7 99.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -58.14 -51.91 67.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 56' ' ' PHE . 25.5 tp -67.07 -67.23 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.515 ' CD ' ' HA ' ' A' ' 80' ' ' THR . 17.6 ptt180 -32.79 -46.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.481 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 3.2 t -60.93 -61.07 2.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -42.23 -55.54 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.2 tp -42.71 -56.59 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -62.87 -41.95 99.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -40.0 67.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -52.24 115.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -77.3 -29.97 53.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 113' ' ' VAL . 7.4 m-20 -78.67 11.02 2.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -115.49 142.06 47.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.476 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 3.3 tp10 -110.06 150.11 29.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -92.38 110.42 21.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 97' ' ' GLU . 58.8 mt -96.11 18.03 14.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 96' ' ' VAL . 6.4 p -35.36 -31.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.134 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 95' ' ' LEU . 73.2 mt-10 -52.26 -43.39 64.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -85.81 -26.2 25.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 p -51.99 131.96 31.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.492 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 14.6 mm-40 -117.92 102.11 8.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.7 mt -102.91 -17.93 15.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.06 17.92 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 27.4 pt -112.96 166.3 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.3 m -42.86 -46.94 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -120.05 102.0 46.82 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.631 0.729 . . . . 0.0 110.836 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.8 Cg_endo -69.71 146.07 59.35 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.492 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 48.9 p90 -156.26 147.95 22.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -107.19 125.76 51.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.42 HG12 ' CD1' ' A' ' 95' ' ' LEU . 48.2 t -96.58 141.07 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.404 ' C ' HD13 ' A' ' 95' ' ' LEU . 24.1 m-85 -140.54 152.22 45.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -119.29 124.99 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 71.8 mt -71.56 102.0 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 91' ' ' ASP . 7.2 t -79.04 122.54 84.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 111.118 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -174.7 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.578 HD11 ' CH2' ' A' ' 59' ' ' TRP . 16.8 tp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.817 0.341 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -45.05 -68.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' TRP . 22.1 tp60 -60.86 -58.99 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' GLN . 81.3 t90 -36.7 -58.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.2 tp -57.36 -59.6 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.0 mt -42.88 -41.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.14 -37.56 85.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -68.25 -38.15 81.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.516 HG22 ' CE2' ' A' ' 27' ' ' TRP . 7.5 mt -69.15 -49.98 57.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -51.95 -47.57 64.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 p -63.32 -34.97 78.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.69 28.74 73.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -72.49 -38.06 68.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.532 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 5.5 m-85 -88.82 141.17 29.63 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.662 0.744 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 145.53 57.39 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.82 -42.34 3.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 17' ' ' ILE . 15.5 tp -66.89 102.34 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.6 m -145.27 146.37 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.592 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 99.3 m95 -78.33 111.96 14.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -58.23 -28.59 65.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.417 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 34.4 p30 -122.76 163.02 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -72.09 -32.7 67.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.417 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 12.6 pt-20 -56.47 -13.3 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.592 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 21.3 mmtm 62.71 32.69 16.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.6 p -105.21 -34.12 8.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.4 mt -111.47 133.87 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.466 ' CD2' HD11 ' A' ' 17' ' ' ILE . 13.3 p90 -143.7 170.98 14.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -122.97 135.65 54.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 tt -114.36 132.08 22.97 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.637 0.732 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 108.63 2.12 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.643 2.229 . . . . 0.0 112.393 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.456 ' CE2' ' HE3' ' A' ' 108' ' ' LYS . 3.4 t-105 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.742 0.306 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -32.39 -40.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.532 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 25.8 tp -78.1 -57.76 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.561 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 87.8 m-85 -53.93 -56.71 15.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.519 ' HG3' ' CE2' ' A' ' 78' ' ' TRP . 46.1 tttm -45.08 -59.29 2.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -40.75 -41.11 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.065 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.578 ' CH2' HD11 ' A' ' 9' ' ' LEU . 29.9 t-105 -52.16 -48.75 64.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.49 -59.71 4.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.5 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.591 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.6 Cg_exo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 121.571 0.571 . . . . 0.0 112.331 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.9 Cg_exo -47.98 -60.47 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.258 . . . . 0.0 112.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.3 m -50.54 -44.46 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.519 ' CE2' ' HG3' ' A' ' 57' ' ' LYS . 28.4 m0 -63.28 -41.54 99.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.561 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 32.7 mtpt -73.65 -67.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 81' ' ' ARG . 36.7 m -39.04 -68.36 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 80' ' ' THR . 5.1 mpt_? -36.2 -68.34 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.8 tp -49.59 -41.5 42.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.432 ' HG2' ' CH2' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -58.44 -41.32 84.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.61 -42.19 74.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.97 -50.19 73.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.9 tp -40.7 -56.58 2.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -61.48 -43.79 98.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -50.51 -41.05 53.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.0 m -52.15 116.02 2.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -86.69 -27.39 23.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 113' ' ' VAL . 0.8 OUTLIER -81.75 15.48 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -113.48 145.0 41.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.426 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 7.3 tp10 -110.2 151.05 27.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -93.08 109.78 21.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 97' ' ' GLU . 12.6 mt -97.65 18.03 16.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.5 p -37.88 -26.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 95' ' ' LEU . 30.8 mt-10 -57.36 -42.6 82.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -90.61 -23.81 20.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.5 p -52.0 139.52 22.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.577 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 13.1 mm-40 -125.2 102.87 7.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.4 mt -114.03 14.59 18.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -117.92 17.91 14.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.461 ' CD1' ' H ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -117.32 177.56 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.1 m -42.4 -60.31 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -110.61 102.09 50.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.635 0.731 . . . . 0.0 110.835 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.5 Cg_endo -69.75 151.54 69.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 31.8 p90 -164.73 152.23 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.456 ' HE3' ' CE2' ' A' ' 39' ' ' TRP . 41.6 mttt -110.36 123.0 49.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.456 HG11 ' N ' ' A' ' 110' ' ' TYR . 45.7 t -91.65 140.9 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.456 ' N ' HG11 ' A' ' 109' ' ' VAL . 20.8 m-85 -144.16 154.04 42.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -120.73 127.01 51.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.2 mt -74.5 103.02 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 91' ' ' ASP . 5.4 t -78.43 123.49 85.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.642 0.734 . . . . 0.0 111.063 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -174.45 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.31 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.411 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 6.3 tp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.793 0.33 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -47.03 -64.41 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' TRP . 1.5 tp60 -64.42 -58.67 5.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.516 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 85.1 t90 -38.01 -56.16 1.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.4 -54.46 46.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -47.98 -39.04 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -65.7 -39.48 91.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -65.79 -40.81 92.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.571 ' HB ' ' CZ2' ' A' ' 27' ' ' TRP . 9.1 mt -69.4 -48.7 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.512 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 8.2 t70 -50.5 -47.34 57.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 p -64.99 -33.55 76.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.5 29.0 73.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -70.41 -38.6 74.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.55 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 2.6 m-85 -87.73 140.94 31.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.663 0.744 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 148.05 63.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.703 2.269 . . . . 0.0 112.311 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.44 -45.43 3.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.407 ' C ' HG12 ' A' ' 26' ' ' VAL . 18.3 tp -67.77 101.99 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.934 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.407 HG12 ' C ' ' A' ' 25' ' ' LEU . 29.4 m -141.49 146.29 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.613 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 99.4 m95 -77.15 116.34 17.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -58.73 -23.06 59.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -131.32 177.68 7.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -85.8 -25.79 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -66.34 -6.52 14.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.613 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 22.5 mmtm 58.6 32.1 21.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.6 t -99.79 -40.09 7.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.6 mt -109.35 137.18 42.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -147.03 174.76 11.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -128.66 136.51 50.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 12.0 tt -114.11 130.88 23.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.647 0.737 . . . . 0.0 111.165 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.415 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.2 Cg_endo -69.77 113.25 3.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.306 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.577 ' CE3' ' HD2' ' A' ' 108' ' ' LYS . 6.7 t-105 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.789 0.328 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.78 -42.69 17.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.55 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 10.5 tp -67.92 -59.5 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -50.69 -57.67 7.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -40.83 -55.59 2.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.69 -44.28 47.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.516 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 31.4 t-105 -52.42 -57.15 10.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.72 -64.71 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.4 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.589 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.5 Cg_exo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.588 0.578 . . . . 0.0 112.319 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.7 Cg_exo -48.01 -48.81 15.34 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.0 m -63.14 -44.52 95.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.411 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 36.1 m0 -60.75 -48.78 80.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -72.03 -65.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.6 m -36.34 -65.31 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.446 ' N ' ' HD2' ' A' ' 81' ' ' ARG . 0.4 OUTLIER -42.42 -67.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.497 HD11 ' CD1' ' A' ' 59' ' ' TRP . 27.7 tp -46.99 -59.8 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -39.22 -50.09 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.84 -46.73 87.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.91 -50.67 71.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.8 tp -44.22 -49.9 9.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -69.68 -42.93 73.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -53.52 -40.08 65.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.1 t -52.1 105.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -72.19 -27.42 62.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.1 m-20 -80.3 13.34 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -114.09 143.72 44.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.444 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 1.2 tp10 -109.93 147.16 33.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -89.22 110.4 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 97' ' ' GLU . 10.2 mt -98.88 17.96 18.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.44 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 14.8 p -35.08 -28.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 95' ' ' LEU . 35.8 mt-10 -52.04 -41.05 61.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 4.3 mtp85 -89.79 -24.75 21.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.44 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 8.0 p -52.01 124.36 12.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.423 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 13.1 mm-40 -116.76 101.98 9.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.8 mt -100.8 -17.11 17.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.33 18.02 1.92 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 21.4 pt -113.84 164.04 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.4 m -41.8 -47.22 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -118.83 102.07 49.78 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.621 0.724 . . . . 0.0 110.816 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.4 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.1 Cg_endo -69.86 142.93 48.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.295 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 38.6 p90 -154.72 146.24 23.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.577 ' HD2' ' CE3' ' A' ' 39' ' ' TRP . 11.9 mttm -108.07 126.75 53.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.489 HG13 ' CD1' ' A' ' 95' ' ' LEU . 96.1 t -94.92 143.01 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.443 ' N ' HG11 ' A' ' 109' ' ' VAL . 31.4 m-85 -144.72 152.35 40.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -119.63 126.59 51.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 73.1 mt -71.72 102.0 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 91' ' ' ASP . 4.7 t -77.39 124.9 86.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 111.142 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -174.5 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.488 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 4.5 tp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.793 0.33 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -44.39 -67.23 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' TRP . 5.2 tp60 -61.51 -60.37 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.532 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 85.5 t90 -36.62 -58.19 0.74 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.6 tp -56.71 -57.29 13.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.7 mt -46.64 -42.11 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.56 -37.51 81.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 46.2 mm-40 -66.73 -39.91 88.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.532 HD13 ' CZ2' ' A' ' 27' ' ' TRP . 8.2 mt -68.02 -47.22 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -55.33 -45.32 76.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.2 p -66.09 -34.52 78.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.815 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.12 29.4 74.84 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.543 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -73.39 -38.67 65.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.427 ' CE1' ' HB3' ' A' ' 16' ' ' GLN . 1.6 m-85 -89.88 141.83 28.51 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.645 0.736 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 149.29 66.92 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.11 -36.76 2.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 17' ' ' ILE . 17.0 tp -73.4 103.29 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.4 m -153.0 146.57 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.585 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 81.6 m95 -77.4 122.33 25.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -67.33 -24.04 65.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.428 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 32.2 p30 -124.93 170.36 11.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -79.54 -32.34 42.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.428 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 8.5 pt-20 -55.57 -13.77 1.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.585 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 2.4 mmmp? 63.12 37.38 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 t -110.04 -37.85 5.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.7 mt -106.79 138.78 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -148.54 173.68 12.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -127.49 134.72 49.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.433 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 13.8 tt -114.05 134.9 22.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 111.109 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.433 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.8 Cg_endo -69.74 113.49 3.39 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.731 2.288 . . . . 0.0 112.37 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.789 0.328 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -33.96 -39.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.1 tp -73.57 -67.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -47.25 -52.89 14.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -47.6 -57.41 5.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.98 -42.54 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.532 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 34.0 t-105 -56.96 -50.17 73.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.68 -62.43 1.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.597 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.4 Cg_exo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 121.642 0.601 . . . . 0.0 112.336 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.1 Cg_exo -48.01 -40.44 33.35 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.7 m -67.4 -48.98 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.564 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 7.4 m0 -61.41 -45.34 94.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -63.76 -47.64 80.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.8 m -61.31 -46.29 90.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -51.86 -58.66 5.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.9 tp -65.97 -53.6 36.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -44.67 -51.49 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.98 -53.99 22.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' ASN . . . -59.11 -47.65 84.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.7 tp -41.88 -21.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ALA . 5.8 t-20 -96.84 -54.54 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -49.7 -30.87 9.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.9 p -55.91 102.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -76.92 -26.58 54.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 113' ' ' VAL . 2.3 p-10 -78.2 10.78 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -116.6 143.34 45.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.427 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.8 tt0 -109.9 144.94 37.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -85.13 108.08 17.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 97' ' ' GLU . 13.6 mt -96.75 18.02 15.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 95' ' ' LEU . 2.6 p -35.96 -34.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.194 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 95' ' ' LEU . 81.3 mt-10 -46.04 -44.13 15.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -88.24 -25.21 22.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.8 p -52.04 139.9 21.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.488 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 14.6 mm-40 -125.6 106.04 9.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.2 mt -113.75 13.16 18.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -117.98 18.0 14.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -115.84 177.61 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 t -43.05 -59.47 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -112.62 105.37 56.0 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.556 0.693 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 151.79 69.12 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.341 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.451 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 49.0 p90 -165.77 152.1 9.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -112.01 124.67 52.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.0 t -92.94 144.94 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -145.13 158.41 43.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -122.96 126.5 47.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 71.2 mt -72.87 102.01 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 91' ' ' ASP . 7.5 t -81.01 124.05 81.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.681 0.753 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.96 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.664 2.243 . . . . 0.0 112.372 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.839 0.352 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -44.77 -64.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -64.18 -53.67 45.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.561 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 76.4 t90 -40.73 -59.59 1.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.6 tp -57.32 -59.65 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.8 mt -44.03 -39.94 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -61.46 -40.67 95.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -64.27 -38.08 89.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.551 HD13 ' CZ2' ' A' ' 27' ' ' TRP . 8.9 mt -67.01 -49.87 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -51.83 -55.83 17.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.2 p -54.03 -33.32 56.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.29 27.19 68.84 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -69.55 -38.84 77.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.502 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 3.2 m-85 -87.98 141.21 31.23 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.703 0.763 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.36 56.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.38 -43.67 3.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.524 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.81 102.43 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.3 m -150.44 146.38 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.573 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 93.0 m95 -77.15 109.75 11.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -55.35 -30.05 59.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.479 ' CG ' ' CG ' ' A' ' 31' ' ' GLU . 42.3 p30 -123.08 153.08 40.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.4 -31.77 73.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.479 ' CG ' ' CG ' ' A' ' 29' ' ' ASN . 12.7 pt-20 -54.52 -14.12 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.573 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 0.8 OUTLIER 62.74 36.11 13.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.9 m -108.31 -37.7 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.9 mt -110.74 139.89 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -145.19 167.87 21.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.439 ' HB2' ' CD2' ' A' ' 107' ' ' TYR . 1.4 ptt180 -121.48 139.57 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.418 HG13 ' HD2' ' A' ' 38' ' ' PRO . 7.8 tt -116.87 134.63 22.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.651 0.739 . . . . 0.0 111.08 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.418 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.1 Cg_endo -69.8 111.78 2.91 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.732 2.288 . . . . 0.0 112.296 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.401 ' O ' ' HG2' ' A' ' 106' ' ' PRO . 2.4 t-105 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.802 0.334 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.41 -54.14 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.502 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 49.6 tp -57.94 -55.88 29.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.562 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 67.8 m-85 -57.87 -66.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.527 ' HD2' ' CZ3' ' A' ' 78' ' ' TRP . 54.2 tttt -35.32 -46.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.4 -48.0 77.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.561 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 57.8 t-105 -52.87 -47.5 67.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.544 ' CB ' ' CD1' ' A' ' 78' ' ' TRP . . . -55.8 -51.53 67.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.908 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.599 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 66.0 Cg_exo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 121.55 0.563 . . . . 0.0 112.323 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.4 Cg_exo -48.02 -52.31 8.46 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.365 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.0 m -66.33 -44.96 81.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.544 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 22.9 m0 -54.74 -44.82 73.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.562 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 62.2 tttt -68.86 -58.64 3.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.3 m -44.83 -43.09 8.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -54.53 -57.1 12.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.494 HD21 ' CE1' ' A' ' 56' ' ' PHE . 16.7 tp -63.56 -51.88 63.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -45.49 -44.2 12.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.32 -48.88 47.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 86' ' ' LEU . . . -58.08 -63.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 85' ' ' ALA . 27.4 tp -35.68 -49.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.51 -44.12 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -41.23 67.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 t -56.21 102.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -64.84 -38.17 90.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -57.5 -12.6 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -108.98 133.51 52.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.482 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.5 tt0 -109.83 153.8 23.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.552 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 9.5 tt0 -111.35 116.05 30.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.6 mt -92.74 101.96 14.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.437 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.1 OUTLIER -79.16 -36.81 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -48.59 -30.77 5.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -100.93 -15.3 17.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.437 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 42.8 p -61.09 127.49 31.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.495 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 27.3 mm-40 -121.72 102.05 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.8 mt -116.79 14.0 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -117.5 18.03 14.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 104' ' ' SER . 0.2 OUTLIER -117.62 171.02 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 103' ' ' ILE . 2.0 m -35.63 -56.16 0.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.82 105.58 51.26 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.401 ' HG2' ' O ' ' A' ' 39' ' ' TRP . 53.7 Cg_endo -69.78 139.81 41.07 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.625 2.217 . . . . 0.0 112.352 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.495 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 49.0 p90 -157.9 146.0 18.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -107.05 129.93 54.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.7 t -88.93 147.1 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.552 ' CE2' ' HB2' ' A' ' 94' ' ' GLU . 10.8 m-85 -134.36 170.53 15.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -139.68 125.17 19.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 93.3 mt -74.25 102.38 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 3.3 t -72.68 124.74 91.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.653 0.74 . . . . 0.0 111.109 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 178.05 4.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.685 2.257 . . . . 0.0 112.343 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.542 HD12 ' CH2' ' A' ' 59' ' ' TRP . 4.7 tp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.746 0.307 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -39.49 -67.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.478 ' C ' ' CD ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -63.95 -55.65 20.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' GLN . 90.7 t90 -36.7 -59.63 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.79 -53.63 55.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.6 mt -45.41 -44.49 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.38 -36.86 81.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -66.57 -43.37 85.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.529 HG21 ' CE2' ' A' ' 27' ' ' TRP . 8.3 mt -69.65 -45.12 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.478 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 14.5 t0 -58.97 -47.08 86.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 p -59.16 -33.47 70.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.59 27.78 72.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -72.6 -38.55 67.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.535 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 3.5 m-85 -90.16 145.06 32.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.667 0.746 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 154.4 67.82 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.327 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.68 -48.64 2.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.429 ' C ' HG11 ' A' ' 26' ' ' VAL . 12.0 tp -61.24 102.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.429 HG11 ' C ' ' A' ' 25' ' ' LEU . 24.7 m -149.57 146.14 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.641 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 90.6 m95 -77.29 114.16 15.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -55.06 -29.61 57.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.508 ' ND2' ' CG ' ' A' ' 31' ' ' GLU . 44.3 p30 -123.27 170.8 9.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -79.76 -35.68 38.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.508 ' CG ' ' ND2' ' A' ' 29' ' ' ASN . 8.0 pt-20 -53.73 -14.63 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.641 ' HD3' ' CD1' ' A' ' 27' ' ' TRP . 6.4 mmtp 64.71 33.17 10.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.2 m -98.04 -41.48 7.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 35' ' ' PHE . 3.7 mp -112.47 141.79 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.464 ' N ' HG23 ' A' ' 34' ' ' ILE . 4.9 p90 -144.64 175.18 10.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.533 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 3.2 ptt180 -129.39 134.03 47.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.437 HG23 ' O ' ' A' ' 37' ' ' ILE . 17.1 tt -114.02 131.45 23.16 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.644 0.735 . . . . 0.0 111.078 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 116.06 4.38 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.789 0.328 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.15 -42.74 73.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.535 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 11.6 tp -63.44 -51.57 65.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 58.1 m-85 -51.88 -45.22 64.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 58' ' ' ALA . 39.7 mtpt -57.56 -55.64 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' LYS . . . -37.14 -43.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.542 ' CH2' HD12 ' A' ' 9' ' ' LEU . 22.4 t-105 -61.65 -55.89 25.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.43 -43.61 79.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.589 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.0 Cg_exo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 121.607 0.586 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.2 Cg_exo -47.97 -38.22 31.01 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.649 2.233 . . . . 0.0 112.356 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.5 m -72.41 -50.65 24.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.563 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 10.1 m0 -58.54 -52.27 66.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.408 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 29.0 mttt -52.04 -58.95 5.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.5 m -54.06 -49.06 69.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -43.59 -60.55 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.5 tp -65.06 -40.36 94.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -52.72 -42.64 65.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.2 t -68.22 -46.04 71.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.61 -54.74 43.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.3 tp -44.09 -54.31 5.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -61.12 -45.33 95.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -56.0 -42.84 77.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.7 t -53.18 107.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -77.64 -29.51 51.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.58 7.64 4.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -119.86 135.77 54.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.443 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.4 tt0 -111.46 141.07 45.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 110' ' ' TYR . 1.7 tt0 -92.05 113.43 25.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 111' ' ' ARG . 28.2 mt -98.27 102.04 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.448 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.1 OUTLIER -87.88 -35.78 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -48.9 -40.78 31.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -89.6 -16.52 30.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.448 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 26.9 p -59.76 126.82 29.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 8.8 mm-40 -119.88 103.15 9.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 mt -116.13 12.58 15.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -111.92 2.15 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 104' ' ' SER . 0.2 OUTLIER -101.6 164.14 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 103' ' ' ILE . 9.8 t -32.04 -58.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -110.52 102.12 50.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.4 Cg_endo -69.76 148.48 65.17 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.338 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.533 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 33.7 p90 -166.46 154.33 10.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -108.95 131.15 55.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 110' ' ' TYR . 91.3 t -93.56 139.42 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 94' ' ' GLU . 9.8 m-85 -130.94 168.87 16.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.471 ' HB2' ' CD1' ' A' ' 95' ' ' LEU . 6.0 ttt180 -133.05 126.0 30.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 86.5 mt -73.88 102.78 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.443 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 4.0 t -76.71 125.05 87.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.74 . . . . 0.0 111.129 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -178.68 2.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.303 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.481 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 10.6 tp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.824 0.345 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -40.66 -66.21 0.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 12' ' ' TRP . 15.5 tp60 -63.54 -55.01 27.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.504 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 83.7 t90 -36.7 -61.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 16' ' ' GLN . 46.9 tp -54.72 -61.06 2.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.8 mt -41.04 -42.89 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -60.63 -39.59 88.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.446 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 50.1 mm-40 -64.57 -39.08 93.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.566 HD13 ' CZ2' ' A' ' 27' ' ' TRP . 7.4 mt -67.99 -51.97 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -49.33 -54.24 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 p -56.94 -33.53 67.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.08 29.59 74.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -73.46 -38.7 65.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.759 0.314 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.446 ' CE1' ' HB3' ' A' ' 16' ' ' GLN . 1.6 m-85 -89.18 142.05 29.69 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.651 0.739 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 150.17 68.16 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.71 2.273 . . . . 0.0 112.358 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.2 -31.45 2.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.566 ' CD1' ' CE1' ' A' ' 35' ' ' PHE . 12.8 tp -77.64 105.42 8.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.4 m -156.04 145.31 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.6 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 87.9 m95 -77.34 124.09 27.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -72.2 -25.87 61.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.4 p30 -122.36 175.61 6.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -81.98 -34.48 29.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -55.51 -13.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.6 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 18.8 mmtm 63.12 32.03 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.7 t -105.67 -37.43 6.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.446 HG22 ' CD1' ' A' ' 95' ' ' LEU . 27.9 mt -102.19 130.23 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.566 ' CE1' ' CD1' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -147.19 165.06 31.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.428 ' N ' ' CD1' ' A' ' 35' ' ' PHE . 1.6 ptp180 -115.39 133.48 56.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.477 ' HB ' ' CE1' ' A' ' 35' ' ' PHE . 16.6 tt -113.28 130.19 23.87 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.667 0.746 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 111.37 2.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.323 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.838 0.352 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.79 -46.72 67.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.3 tp -58.79 -61.8 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -52.81 -49.28 65.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.427 ' HG2' ' CD1' ' A' ' 61' ' ' LEU . 33.1 tttt -56.63 -47.93 78.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.38 -46.84 47.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.504 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 73.6 t-105 -53.28 -52.79 57.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.07 -62.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.047 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.427 ' CD1' ' HG2' ' A' ' 57' ' ' LYS . 5.4 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.586 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.5 Cg_exo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 121.585 0.577 . . . . 0.0 112.356 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.2 Cg_exo -48.01 -18.93 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.702 2.268 . . . . 0.0 112.318 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.8 m -92.85 -44.86 8.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.496 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 3.5 m0 -65.09 -58.45 6.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -48.74 -53.94 16.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.1 m -55.57 -61.56 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -41.49 -67.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.9 tp -53.69 -44.33 69.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -55.26 -40.02 70.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.23 -50.25 61.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.23 -42.7 70.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.6 tp -48.4 -48.81 36.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -65.79 -46.04 80.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -50.53 -40.17 51.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.6 m -52.31 116.88 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.808 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -86.35 -29.33 23.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 113' ' ' VAL . 3.0 m-20 -77.84 9.22 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -106.72 142.67 35.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.479 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 5.9 tp10 -109.69 149.87 29.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -93.6 113.21 25.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.602 ' O ' ' N ' ' A' ' 97' ' ' GLU . 9.2 mt -102.07 18.02 21.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 95' ' ' LEU . 6.6 p -32.32 -30.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.3 OUTLIER -48.73 -42.75 36.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -91.94 -23.35 19.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.438 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 26.1 p -52.01 126.32 18.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.417 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 11.3 mm-40 -118.43 108.69 15.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.0 mt -117.01 15.43 15.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.93 17.64 14.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.427 ' CD1' ' H ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -117.41 177.43 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.0 m -44.11 -59.63 2.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -110.5 103.3 53.94 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.564 0.697 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 143.11 49.69 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.311 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 46.7 p90 -156.66 150.9 25.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.978 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.409 ' O ' HG22 ' A' ' 37' ' ' ILE . 41.1 mttm -114.16 124.34 51.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 95' ' ' LEU . 90.4 t -89.82 137.94 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -140.67 149.28 42.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -117.75 121.12 39.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 78.3 mt -72.7 101.96 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 91' ' ' ASP . 4.0 t -75.82 119.64 78.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.62 0.724 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 179.79 3.42 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.722 2.281 . . . . 0.0 112.318 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.526 HD11 ' CZ2' ' A' ' 59' ' ' TRP . 5.7 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -39.55 -62.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -68.3 -52.12 37.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -39.93 -60.48 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' GLN . 50.7 tp -56.17 -61.9 2.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -41.4 -41.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.22 -37.65 83.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 13' ' ' LEU . 49.6 mm-40 -66.59 -42.26 87.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.542 HG22 ' CD1' ' A' ' 27' ' ' TRP . 14.1 mt -67.73 -51.54 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.402 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 3.1 t70 -53.91 -44.07 70.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 p -63.94 -34.1 77.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.97 29.05 73.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -71.95 -41.47 67.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.751 0.31 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 2.0 m-85 -88.55 143.65 32.45 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.674 0.75 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 148.27 65.06 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.748 2.299 . . . . 0.0 112.334 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.33 -43.34 3.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.5 tp -67.42 102.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.9 m -148.34 147.47 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.572 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 98.0 m95 -78.46 116.65 19.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -58.68 -28.34 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.47 ' ND2' HD12 ' A' ' 34' ' ' ILE . 43.2 p30 -121.26 178.22 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -86.52 -30.86 21.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.427 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.4 pt-20 -61.92 -14.83 38.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.572 ' HD3' ' CD1' ' A' ' 27' ' ' TRP . 24.5 mmtm 65.79 34.63 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m -97.16 -42.09 8.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.47 HD12 ' ND2' ' A' ' 29' ' ' ASN . 4.5 mp -113.17 141.6 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.503 ' CG ' HD12 ' A' ' 17' ' ' ILE . 6.6 p90 -147.1 174.8 11.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.428 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 0.4 OUTLIER -127.26 137.03 52.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 tt -116.18 133.88 22.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 122.58 9.26 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.692 2.262 . . . . 0.0 112.321 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.938 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.805 0.336 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.12 -44.67 45.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.423 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 14.2 tp -66.95 -61.22 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.939 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -48.53 -54.79 13.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.565 ' HD3' ' CZ2' ' A' ' 78' ' ' TRP . 1.0 OUTLIER -42.35 -56.45 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.04 -48.34 11.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.526 ' CZ2' HD11 ' A' ' 9' ' ' LEU . 39.7 t-105 -62.27 -63.26 1.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 59' ' ' TRP . . . -36.24 -54.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.598 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.1 Cg_exo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 121.607 0.586 . . . . 0.0 112.377 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.0 Cg_exo -48.0 -41.91 32.53 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.451 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 16.3 m -67.11 -48.56 67.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.576 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 4.2 m0 -62.2 -55.0 32.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -53.64 -59.05 5.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.5 m -57.1 -50.51 72.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 77' ' ' THR . 0.7 OUTLIER -40.75 -58.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.4 -48.79 71.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -41.63 -42.56 2.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.67 -44.33 74.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 86' ' ' LEU . . . -59.12 -62.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 85' ' ' ALA . 12.9 tp -35.91 -49.34 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -69.85 -45.13 68.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -52.95 -43.86 66.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.1 t -53.24 117.83 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -81.51 -27.34 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 113' ' ' VAL . 88.3 m-20 -77.68 8.43 4.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -121.07 133.93 55.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.442 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.7 tt0 -109.94 141.35 42.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.507 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 1.1 tt0 -93.59 113.05 25.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.1 mt -97.49 101.99 13.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.444 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.0 OUTLIER -87.67 -35.68 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -51.62 -40.54 60.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -89.49 -17.66 28.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.444 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 9.2 p -59.8 140.88 56.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 41.1 mm-40 -131.54 102.14 5.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.0 mt -117.45 14.83 14.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -117.9 9.6 12.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.45 ' O ' ' C ' ' A' ' 104' ' ' SER . 0.2 OUTLIER -109.12 167.4 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 103' ' ' ILE . 7.7 m -33.87 -55.13 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.99 104.55 54.93 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.629 0.728 . . . . 0.0 110.851 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 54.1 Cg_endo -69.72 147.7 63.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.38 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.428 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 32.3 p90 -166.29 152.03 8.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -111.42 123.54 50.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.0 t -85.3 146.07 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.507 ' CE2' ' HB2' ' A' ' 94' ' ' GLU . 9.7 m-85 -139.66 167.94 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -131.26 126.94 36.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 84.4 mt -72.99 102.52 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.078 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.442 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 3.5 t -77.96 127.04 82.9 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.648 0.737 . . . . 0.0 111.132 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -175.71 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.812 0.339 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 92' ' ' PHE . 21.2 ttt-85 -44.27 -67.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -70.57 -49.96 42.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.567 ' CH2' HD13 ' A' ' 55' ' ' LEU . 76.2 t90 -41.25 -63.7 0.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' GLN . 29.4 tp -56.25 -57.03 13.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.6 mt -42.86 -40.23 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -65.32 -34.39 78.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' LEU . 40.0 mm-40 -71.04 -40.99 71.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.547 HG23 ' CD1' ' A' ' 27' ' ' TRP . 18.4 mt -67.21 -45.44 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -56.76 -44.39 81.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 p -65.87 -37.4 86.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.48 29.89 74.54 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -74.02 -38.28 64.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -88.91 142.1 30.16 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.673 0.749 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 153.45 69.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.282 . . . . 0.0 112.339 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.37 -41.04 2.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 tp -72.9 102.23 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.6 m -146.87 148.38 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.621 ' CD1' ' CD ' ' A' ' 32' ' ' LYS . 99.8 m95 -77.5 116.25 17.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -58.36 -29.7 66.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.453 ' ND2' HD12 ' A' ' 34' ' ' ILE . 35.0 p30 -120.95 176.47 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -84.35 -31.39 24.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.9 pt-20 -61.47 -13.92 24.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.621 ' CD ' ' CD1' ' A' ' 27' ' ' TRP . 16.7 mmtm 64.78 37.41 7.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.6 m -102.96 -37.38 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.453 HD12 ' ND2' ' A' ' 29' ' ' ASN . 4.1 mp -115.85 127.6 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.488 ' CG ' HD13 ' A' ' 17' ' ' ILE . 12.0 p90 -131.83 174.62 9.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.471 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 1.7 ptt180 -129.09 136.02 49.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.488 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 2.7 tt -114.22 137.3 22.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.488 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.3 Cg_endo -69.8 117.95 5.39 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.719 2.279 . . . . 0.0 112.292 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.526 ' CD2' ' HD2' ' A' ' 108' ' ' LYS . 4.5 t-105 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.776 0.322 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.49 -32.05 73.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.567 HD13 ' CH2' ' A' ' 12' ' ' TRP . 7.0 tp -84.87 -55.2 4.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 96.6 m-85 -45.36 -49.11 13.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.504 ' HG3' ' N ' ' A' ' 58' ' ' ALA . 19.6 ptmt -54.32 -50.51 67.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.504 ' N ' ' HG3' ' A' ' 57' ' ' LYS . . . -48.39 -36.7 15.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.534 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 67.4 t-105 -65.99 -46.09 79.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.52 -52.15 54.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.588 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.5 Cg_exo . . . . . 0 C--O 1.232 0.193 0 CA-C-O 121.567 0.57 . . . . 0.0 112.362 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.7 Cg_exo -48.01 -48.93 15.03 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.2 m -62.62 -47.8 82.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.461 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 33.4 m0 -57.02 -43.14 81.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.571 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -66.87 -68.27 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.3 m -42.93 -60.1 1.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.442 ' N ' ' HD2' ' A' ' 81' ' ' ARG . 2.1 mpt_? -42.03 -52.31 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 83' ' ' ARG . 15.2 tp -64.06 -62.05 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 82' ' ' LEU . 23.4 mtp180 -34.71 -38.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.2 t -69.89 -58.65 3.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -48.78 -49.36 39.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.7 tp -52.57 -41.07 63.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -73.0 -52.35 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -51.6 -50.09 60.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 m -53.84 102.24 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.411 ' C ' ' N ' ' A' ' 92' ' ' PHE . 50.7 t30 -68.96 -43.29 75.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -43.29 -23.72 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 10' ' ' ARG . 3.2 m-85 -100.59 135.49 41.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.7 tt0 -109.43 144.68 37.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.552 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 1.0 OUTLIER -100.35 117.73 35.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 111' ' ' ARG . 18.5 mt -101.67 102.03 12.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.456 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.1 OUTLIER -88.17 -33.89 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -49.98 -39.15 40.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -91.29 -14.94 29.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.456 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 34.7 p -60.03 137.09 58.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.495 ' HB2' ' CE2' ' A' ' 107' ' ' TYR . 28.4 mm-40 -125.95 103.67 7.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.1 mt -109.3 -14.25 14.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -89.6 17.81 6.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 104' ' ' SER . 11.6 pt -112.85 157.49 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 103' ' ' ILE . 23.2 t -35.93 -43.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -121.19 101.99 43.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.615 0.721 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.435 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 54.5 Cg_endo -69.7 140.74 43.63 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.345 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.495 ' CE2' ' HB2' ' A' ' 100' ' ' GLN . 44.8 p90 -158.03 148.77 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.526 ' HD2' ' CD2' ' A' ' 39' ' ' TRP . 14.9 mttm -107.92 127.04 53.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 97.2 t -88.49 145.66 7.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.552 ' CE2' ' HB2' ' A' ' 94' ' ' GLU . 11.3 m-85 -136.43 168.23 19.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.424 ' HB2' ' CD1' ' A' ' 95' ' ' LEU . 6.6 ttt85 -135.87 126.15 26.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 94.2 mt -76.43 102.68 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 2.5 t -74.34 126.18 89.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 111.134 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 179.98 3.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.402 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 tp . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.819 0.343 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -42.38 -63.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -70.17 -49.85 46.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.559 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 79.9 t90 -41.76 -60.8 1.25 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.6 tp -53.88 -58.02 8.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.1 mt -42.95 -43.66 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.106 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -60.82 -40.16 91.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -65.79 -44.86 84.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.47 HG21 ' NE1' ' A' ' 27' ' ' TRP . 14.4 mt -64.19 -42.24 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -63.13 -53.75 48.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.4 ' HB2' ' CG ' ' A' ' 21' ' ' LYS . 12.1 p -52.03 -31.7 31.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.5 30.31 76.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.4 ' CG ' ' HB2' ' A' ' 19' ' ' SER . 17.1 mttt -75.01 -39.46 61.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.448 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 2.4 m-85 -90.23 139.78 27.1 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.672 0.749 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 149.99 67.61 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.246 . . . . 0.0 112.395 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.89 -46.17 3.64 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.436 ' C ' HG12 ' A' ' 26' ' ' VAL . 14.4 tp -64.08 101.97 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.436 HG12 ' C ' ' A' ' 25' ' ' LEU . 35.5 m -144.74 146.72 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.095 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.588 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 97.1 m95 -77.68 114.3 16.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.22 -31.22 69.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.442 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 41.3 p30 -121.67 145.23 48.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -57.28 -35.55 69.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 8.4 pt-20 -52.42 -15.03 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.588 ' HD3' ' CD1' ' A' ' 27' ' ' TRP . 13.3 mmtp 63.92 35.19 11.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.5 m -104.32 -37.54 7.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.407 HD11 ' ND2' ' A' ' 29' ' ' ASN . 19.1 mt -113.15 145.36 19.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -150.67 174.65 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.557 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 0.5 OUTLIER -127.23 136.17 51.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.8 tt -113.76 132.1 22.76 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.734 . . . . 0.0 111.099 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 112.3 3.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.371 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.79 0.328 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -34.41 -43.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.077 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.448 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 10.2 tp -73.89 -67.89 0.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 89.2 m-85 -42.23 -53.99 3.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.525 ' HG3' ' CE2' ' A' ' 78' ' ' TRP . 59.3 tttt -55.33 -58.77 6.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -39.32 -55.08 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.566 ' CD1' HD11 ' A' ' 82' ' ' LEU . 57.5 t-105 -49.58 -50.26 43.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.5 76.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.079 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.6 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.597 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.3 Cg_exo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 121.594 0.581 . . . . 0.0 112.345 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 63.9 Cg_exo -47.93 -49.14 14.43 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.458 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 88.6 m -60.53 -47.41 86.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.572 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 14.5 m0 -61.75 -54.2 45.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.567 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 24.4 ttmt -57.33 -55.9 28.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.9 m -57.38 -48.41 79.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 77' ' ' THR . 2.4 mmp_? -50.75 -56.49 11.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.566 HD11 ' CD1' ' A' ' 59' ' ' TRP . 38.7 tp -63.63 -41.3 98.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -52.26 -49.8 63.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.82 -44.01 97.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.51 -51.69 68.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.1 tp -45.03 -40.76 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -77.55 -46.53 22.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -53.22 -42.9 66.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.5 p -54.63 111.11 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.4 ' C ' ' H ' ' A' ' 92' ' ' PHE . 3.9 m-80 -74.94 -30.14 61.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.1 m-20 -75.61 10.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.4 ' H ' ' C ' ' A' ' 90' ' ' ASN . 5.7 m-85 -124.94 133.83 52.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.468 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.5 tt0 -110.38 136.57 49.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.535 ' HA ' ' CD2' ' A' ' 110' ' ' TYR . 0.8 OUTLIER -88.0 112.14 22.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 29.6 mt -96.57 102.04 13.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.472 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.0 OUTLIER -89.01 -34.25 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -51.08 -40.92 59.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -89.89 -14.3 34.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.472 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 21.7 p -61.38 129.94 43.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 10.6 mm-40 -122.1 102.0 7.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.1 mt -118.02 10.47 13.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -112.11 5.06 18.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.465 ' O ' ' C ' ' A' ' 104' ' ' SER . 0.2 OUTLIER -105.02 168.0 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 103' ' ' ILE . 29.9 m -32.03 -59.39 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -111.68 105.46 56.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.448 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.4 Cg_endo -69.73 149.35 66.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.279 . . . . 0.0 112.314 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.557 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 44.8 p90 -167.45 153.78 7.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -112.2 126.58 55.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.5 t -89.07 148.47 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.535 ' CD2' ' HA ' ' A' ' 94' ' ' GLU . 8.7 m-85 -140.57 170.64 15.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -135.16 124.62 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 79.3 mt -71.11 104.0 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 91' ' ' ASP . 5.0 t -80.06 122.68 83.34 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -174.94 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.272 . . . . 0.0 112.355 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 10' ' ' ARG . 8.4 tp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.784 0.326 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 9' ' ' LEU . 3.3 tmt_? -35.8 -66.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' TRP . 2.2 tp60 -71.86 -53.77 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.424 ' C ' ' O ' ' A' ' 11' ' ' GLN . 91.5 t90 -36.58 -61.52 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 16' ' ' GLN . 39.5 tp -52.96 -60.74 2.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.3 mt -42.08 -42.82 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.44 -38.63 81.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.466 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 40.7 mm-40 -68.8 -43.31 75.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.421 HG22 ' CE2' ' A' ' 27' ' ' TRP . 20.1 mt -66.01 -51.66 57.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -52.44 -47.52 66.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.1 p -62.43 -34.57 77.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.9 27.57 71.44 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -72.39 -37.88 68.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.496 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 2.7 m-85 -87.57 141.81 32.43 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.725 0.774 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 147.16 62.44 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.689 2.259 . . . . 0.0 112.299 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.13 -38.49 2.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.3 tp -69.87 108.06 3.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 110.945 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.5 m -156.41 149.73 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.61 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 89.5 m95 -77.83 121.16 23.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -63.88 -26.21 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.428 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 33.4 p30 -124.44 168.07 13.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.13 -30.07 49.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.428 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.2 pt-20 -57.35 -13.58 3.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.61 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 2.2 mmmm 63.01 35.21 13.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.1 m -106.19 -37.39 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.409 HD13 ' ND2' ' A' ' 29' ' ' ASN . 19.7 mt -111.58 140.6 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.153 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -145.43 166.72 24.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.523 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 0.9 OUTLIER -121.47 134.12 55.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.464 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 7.7 tt -115.32 136.13 22.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 54.1 Cg_endo -69.76 113.16 3.28 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.38 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.797 0.332 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.62 -42.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.496 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 29.2 tp -71.89 -60.66 2.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -51.0 -59.26 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -52.07 -58.68 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -38.11 -43.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -55.68 -55.91 26.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.82 -61.6 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.596 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 66.0 Cg_exo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 121.613 0.589 . . . . 0.0 112.334 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.0 Cg_exo -47.93 -27.46 8.73 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.659 2.239 . . . . 0.0 112.373 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.8 m -81.71 -47.09 13.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.484 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 6.2 m0 -63.58 -51.1 66.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -56.13 -53.86 52.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.477 ' HA ' ' CD ' ' A' ' 83' ' ' ARG . 62.2 m -59.99 -38.45 82.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -60.91 -61.59 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.8 tp -56.5 -62.42 1.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.477 ' CD ' ' HA ' ' A' ' 80' ' ' THR . 8.9 ptm180 -39.3 -41.7 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 9.7 m -61.87 -53.6 53.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.15 -38.57 83.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.7 tp -56.2 -40.85 74.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -81.7 -47.34 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -51.66 -42.9 62.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.4 p -52.11 104.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -63.68 -27.91 69.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.33 11.41 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -125.7 140.26 52.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.461 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 3.1 tt0 -116.74 141.63 47.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.537 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 2.4 tt0 -96.9 115.52 27.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.1 mt -98.9 101.95 13.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.403 ' HA ' ' HB2' ' A' ' 99' ' ' SER . 0.1 OUTLIER -86.55 -42.62 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.849 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -43.64 -35.96 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -93.34 -22.73 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.403 ' HB2' ' HA ' ' A' ' 96' ' ' VAL . 4.5 m -54.39 131.47 42.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.44 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 23.0 mm-40 -125.39 109.33 12.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.4 mt -115.06 -13.78 11.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -88.97 13.58 12.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.45 ' O ' ' C ' ' A' ' 104' ' ' SER . 49.7 pt -109.84 156.35 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 103' ' ' ILE . 46.4 t -33.69 -51.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -114.42 101.97 54.53 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.618 0.723 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 54.2 Cg_endo -69.69 148.44 65.52 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.361 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.523 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 30.5 p90 -164.94 152.15 11.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -111.28 133.23 53.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 52.9 t -97.51 135.41 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.537 ' CE2' ' HB2' ' A' ' 94' ' ' GLU . 12.6 m-85 -131.02 152.99 49.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -116.25 127.81 55.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 92.9 mt -73.18 102.8 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 4.7 t -79.71 127.34 78.14 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.635 0.731 . . . . 0.0 111.129 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -178.1 2.19 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.9 tp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.78 0.324 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.414 ' O ' ' CD1' ' A' ' 14' ' ' ILE . 19.2 tpt85 -37.85 -68.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -79.83 -44.77 19.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.419 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 88.8 t90 -41.42 -65.69 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 16' ' ' GLN . 52.2 tp -54.68 -61.88 2.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 10' ' ' ARG . 92.5 mt -40.71 -40.34 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -64.34 -39.46 93.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 13' ' ' LEU . 45.9 mm-40 -63.89 -36.68 84.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.57 HD11 ' CZ2' ' A' ' 27' ' ' TRP . 7.2 mt -68.94 -49.72 60.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -53.03 -56.28 17.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.401 ' HB2' ' CG ' ' A' ' 21' ' ' LYS . 11.8 p -52.46 -33.05 42.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.65 30.58 77.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.544 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' CG ' ' HB2' ' A' ' 19' ' ' SER . 12.3 mttm -75.04 -39.46 60.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.547 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 2.7 m-85 -90.71 140.95 26.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.714 0.768 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 150.26 67.96 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.634 2.223 . . . . 0.0 112.353 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.17 -32.41 3.03 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.567 HD11 ' CE1' ' A' ' 35' ' ' PHE . 13.2 tp -77.77 104.56 8.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.9 m -155.13 145.72 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.601 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 85.4 m95 -77.51 124.84 28.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -68.81 -26.61 65.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.423 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 36.5 p30 -123.16 170.79 9.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.42 -31.79 42.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.423 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.0 pt-20 -56.29 -13.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.601 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 2.2 mmmp? 62.94 32.01 15.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.0 m -105.85 -37.57 6.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.8 mt -106.73 131.01 57.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CE1' HD11 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -144.18 163.82 32.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -114.64 132.74 56.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.487 ' HB ' ' CE1' ' A' ' 35' ' ' PHE . 14.3 tt -113.28 133.25 22.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.662 0.744 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 111.09 2.71 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.748 2.299 . . . . 0.0 112.309 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.457 ' CD2' ' HD2' ' A' ' 108' ' ' LYS . 3.2 t-105 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.789 0.328 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.6 -45.28 46.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.547 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 9.5 tp -59.01 -49.0 79.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CD1' HD23 ' A' ' 82' ' ' LEU . 95.1 m-85 -61.31 -59.57 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.567 ' HD3' ' CH2' ' A' ' 78' ' ' TRP . 18.3 tptm -40.3 -54.32 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -44.49 -54.49 5.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.419 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 64.6 t-105 -53.06 -54.29 37.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.447 ' CB ' ' CD1' ' A' ' 78' ' ' TRP . . . -42.22 -44.08 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.584 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.9 Cg_exo . . . . . 0 N--CA 1.465 -0.162 0 CA-C-O 121.596 0.582 . . . . 0.0 112.364 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.0 Cg_exo -48.02 -38.41 31.7 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.695 2.264 . . . . 0.0 112.35 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.484 HG23 ' NE ' ' A' ' 81' ' ' ARG . 2.2 m -74.62 -48.21 27.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.583 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 12.5 m0 -53.4 -44.05 68.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -63.34 -43.88 96.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.931 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.5 m -65.48 -54.97 20.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.156 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.484 ' NE ' HG23 ' A' ' 77' ' ' THR . 2.4 mpt_? -51.49 -17.98 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.569 HD23 ' CD1' ' A' ' 56' ' ' PHE . 21.8 tp -94.81 -43.06 8.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.428 ' HG2' ' CH2' ' A' ' 39' ' ' TRP . 49.5 mtt180 -66.69 -40.74 88.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 81' ' ' ARG . 7.4 p -48.59 -52.61 22.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.35 -48.75 63.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.1 tp -42.91 -37.9 2.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -79.43 -45.8 18.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -51.24 -35.9 39.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.4 m -52.24 114.46 1.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -86.51 -28.35 23.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 113' ' ' VAL . 24.7 m-20 -78.02 10.0 3.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -106.33 140.2 39.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.417 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.7 tt0 -109.83 149.4 29.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -96.77 110.45 22.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 97' ' ' GLU . 14.3 mt -96.58 18.0 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.0 p -33.09 -33.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 95' ' ' LEU . 73.1 mt-10 -46.8 -44.41 19.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -90.16 -22.83 21.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.2 p -52.1 144.92 11.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.448 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 9.0 mm-40 -128.2 107.87 10.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.6 mt -115.93 15.38 16.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -118.03 17.52 14.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.421 ' CD1' ' H ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -117.09 172.1 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.7 m -39.62 -59.49 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -111.53 102.8 54.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.426 ' HG2' ' O ' ' A' ' 39' ' ' TRP . 53.7 Cg_endo -69.82 150.82 68.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.651 2.234 . . . . 0.0 112.375 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 49.9 p90 -161.87 150.47 15.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.457 ' HD2' ' CD2' ' A' ' 39' ' ' TRP . 40.5 mttm -112.35 122.31 47.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 95' ' ' LEU . 57.3 t -87.37 132.2 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -132.41 151.3 51.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -120.82 118.74 30.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 88.2 mt -70.51 102.09 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 91' ' ' ASP . 2.9 t -76.3 127.56 84.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 0.0 111.12 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -177.09 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.508 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 5.0 tp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.778 0.323 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -39.37 -64.12 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' TRP . 10.0 tp60 -66.27 -54.58 23.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 69.9 t90 -37.83 -62.7 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.437 ' N ' ' CE3' ' A' ' 12' ' ' TRP . 48.3 tp -54.13 -63.34 1.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.9 mt -41.15 -40.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -64.7 -39.85 94.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 13' ' ' LEU . 50.3 mm-40 -62.71 -42.09 99.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.557 HG21 ' CD1' ' A' ' 27' ' ' TRP . 16.4 mt -63.24 -48.24 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -53.73 -56.23 19.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 p -52.75 -33.94 50.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.96 28.58 70.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -71.87 -38.28 70.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -86.51 140.04 33.8 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.668 0.747 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 136.63 33.48 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.56 -36.87 3.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 tp -72.97 105.11 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.4 m -153.59 147.05 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.638 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 87.6 m95 -78.2 122.41 25.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -65.68 -26.78 67.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.462 ' ND2' ' CG ' ' A' ' 31' ' ' GLU . 24.9 p30 -123.12 178.19 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -85.92 -30.75 22.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.462 ' CG ' ' ND2' ' A' ' 29' ' ' ASN . 7.7 pt-20 -55.44 -16.98 4.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.638 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 4.1 mmmm 64.56 36.88 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.442 ' HG ' ' N ' ' A' ' 34' ' ' ILE . 51.4 p -111.0 -33.84 6.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.442 ' N ' ' HG ' ' A' ' 33' ' ' SER . 18.1 mt -110.43 139.03 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.519 ' CG ' HD12 ' A' ' 17' ' ' ILE . 9.9 p90 -150.63 172.66 15.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -124.36 136.63 54.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.418 HG13 ' HD2' ' A' ' 38' ' ' PRO . 10.0 tt -113.58 132.55 22.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.639 0.733 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.418 ' HD2' HG13 ' A' ' 37' ' ' ILE . 54.0 Cg_endo -69.81 115.9 4.32 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.401 ' O ' ' HB2' ' A' ' 106' ' ' PRO . 1.4 t-105 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.807 0.337 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -34.5 -54.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.8 tp -57.71 -64.71 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -45.22 -58.37 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.573 ' HD2' ' CH2' ' A' ' 78' ' ' TRP . 72.9 tttt -48.48 -52.51 21.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.43 -48.58 13.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.568 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 28.9 t-105 -53.16 -61.03 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -42.53 -57.49 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.091 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.587 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.3 Cg_exo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 121.563 0.568 . . . . 0.0 112.34 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.0 Cg_exo -48.01 -56.63 2.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.26 . . . . 0.0 112.356 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.6 m -53.65 -45.88 70.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.573 ' CH2' ' HD2' ' A' ' 57' ' ' LYS . 21.1 m0 -62.04 -56.29 20.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -52.35 -61.03 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.8 m -49.58 -50.02 44.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -47.8 -64.84 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.558 HD13 ' CD1' ' A' ' 59' ' ' TRP . 20.9 tp -55.48 -54.35 44.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -40.44 -44.57 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.86 -48.5 71.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' LEU . . . -55.38 -62.33 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' ALA . 23.2 tp -34.1 -52.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -65.58 -47.61 75.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -51.73 -39.04 57.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.5 t -52.26 116.39 2.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -85.97 -31.21 22.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -76.02 7.26 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -114.13 139.47 49.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 0.7 OUTLIER -112.03 150.98 29.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.494 ' HG3' ' CZ ' ' A' ' 110' ' ' TYR . 4.1 tt0 -94.39 126.46 39.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 97' ' ' GLU . 66.8 mt -105.97 20.72 18.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.547 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.1 OUTLIER -31.98 -35.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 95' ' ' LEU . 17.5 mt-10 -47.22 -45.17 23.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -89.33 -17.87 28.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.547 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 33.7 p -52.05 147.79 6.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.532 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 37.7 mm-40 -135.85 102.1 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.0 mt -113.99 11.07 17.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -116.67 18.04 15.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.532 ' CD1' ' O ' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -117.27 172.83 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 103' ' ' ILE . 5.3 m -34.92 -60.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -113.89 107.9 51.81 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.584 0.706 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.6 Cg_endo -69.79 149.76 67.1 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 100' ' ' GLN . 49.0 p90 -168.3 154.29 7.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.978 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -116.35 126.0 52.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 110' ' ' TYR . 42.5 t -90.48 143.45 11.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.494 ' CZ ' ' HG3' ' A' ' 94' ' ' GLU . 11.7 m-85 -137.32 158.95 43.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -124.56 122.22 36.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.9 mt -74.39 105.88 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 3.5 t -77.75 123.42 86.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.64 0.733 . . . . 0.0 111.134 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -174.38 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.741 2.294 . . . . 0.0 112.359 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.568 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 4.8 tp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.795 0.331 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.7 tpt85 -42.87 -66.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -76.88 -46.54 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.8 t90 -40.62 -67.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.581 HD22 ' CZ ' ' A' ' 35' ' ' PHE . 24.3 tp -51.35 -62.39 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 93.2 mt -35.8 -48.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -49.37 -50.27 40.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.48 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 10.7 mm-40 -61.21 -55.47 31.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.65 ' CG2' ' CE2' ' A' ' 27' ' ' TRP . 20.0 mt -47.79 -41.45 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.505 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 4.7 t0 -72.02 -66.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.437 ' HB2' ' CG ' ' A' ' 21' ' ' LYS . 9.1 p -42.77 -28.13 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.17 32.41 60.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 19' ' ' SER . 25.8 mtmt -73.35 -36.82 66.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.576 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 14.9 m-85 -86.32 139.61 34.12 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.688 0.756 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.52 50.98 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.88 -48.52 3.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.457 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.542 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -66.91 121.83 16.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.542 ' CG1' ' O ' ' A' ' 25' ' ' LEU . 33.5 m -162.72 169.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.655 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 96.9 m95 -92.63 122.04 34.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' ILE . 8.0 mt-10 -59.98 -29.73 68.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.484 ' ND2' HD11 ' A' ' 34' ' ' ILE . 33.9 p30 -125.34 175.95 7.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -82.14 -31.97 30.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.427 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 11.7 pt-20 -61.19 -14.06 22.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.655 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 18.9 mmtm 65.08 35.79 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.2 t -100.04 -41.42 7.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.484 HD11 ' ND2' ' A' ' 29' ' ' ASN . 3.9 mp -114.0 109.96 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.62 ' HB3' ' CE3' ' A' ' 27' ' ' TRP . 20.8 p90 -117.32 162.07 18.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.411 ' HB2' ' CD2' ' A' ' 107' ' ' TYR . 1.0 OUTLIER -123.97 129.09 50.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.47 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 11.6 tt -111.82 135.9 21.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.637 0.732 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.2 Cg_endo -69.75 115.83 4.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.425 ' O ' ' HG2' ' A' ' 106' ' ' PRO . 3.4 t-105 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.809 0.337 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.69 -37.97 74.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.576 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 5.4 tp -73.96 -50.24 20.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.41 ' C ' ' HB3' ' A' ' 78' ' ' TRP . 62.8 m-85 -59.35 -50.05 75.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.487 ' HD2' ' CH2' ' A' ' 78' ' ' TRP . 65.1 tttt -53.15 -51.04 63.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -43.68 -39.99 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 9' ' ' LEU . 44.5 t-105 -53.47 -63.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.54 -66.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.09 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.91 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.599 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.4 Cg_exo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 121.604 0.585 . . . . 0.0 112.374 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.3 Cg_exo -47.99 -31.71 16.48 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.32 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.3 m -76.67 -48.52 18.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.158 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.53 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 9.2 m0 -61.68 -47.37 85.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -57.8 -56.06 26.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.0 m -59.87 -57.46 12.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.0 mmt-85 -39.5 -64.6 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 83' ' ' ARG . 61.5 tp -60.78 -63.97 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 82' ' ' LEU . 29.6 ttt180 -35.09 -62.18 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.6 t -38.56 -62.17 0.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 87' ' ' ASN . . . -48.33 -62.09 1.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 85' ' ' ALA . 28.9 tp -33.48 -34.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.5 OUTLIER -81.4 -56.69 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -50.53 -45.98 57.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.2 m -52.07 115.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' PHE . 33.8 m120 -82.17 -37.88 25.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.8 p30 -38.42 -29.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 90' ' ' ASN . 17.4 m-30 -101.49 153.53 19.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -112.76 150.54 31.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -83.06 108.77 16.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 97' ' ' GLU . 23.8 mt -97.22 17.98 16.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 97' ' ' GLU . 10.0 p -35.72 -28.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 95' ' ' LEU . 48.8 mt-10 -48.28 -43.8 33.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -91.77 -18.74 23.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.2 m -52.52 131.38 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 14.6 mm-40 -123.53 105.01 9.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.3 mt -106.15 -11.27 16.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -92.15 17.98 8.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 104' ' ' SER . 33.3 pt -113.28 161.5 12.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 103' ' ' ILE . 8.1 t -37.08 -53.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -114.77 102.0 54.65 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.65 0.738 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.425 ' HG2' ' O ' ' A' ' 39' ' ' TRP . 54.0 Cg_endo -69.7 148.06 64.63 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.373 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.434 ' HA ' ' O ' ' A' ' 37' ' ' ILE . 47.9 p90 -161.98 148.05 13.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.961 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -109.77 123.65 49.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.5 146.59 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -144.33 148.43 34.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -114.07 122.91 48.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 79.0 mt -71.17 102.04 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 91' ' ' ASP . 2.5 t -72.3 121.83 85.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.7 . . . . 0.0 111.149 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -175.32 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.819 0.343 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.3 ttt-85 -45.15 -67.04 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' TRP . 3.9 tp60 -60.8 -62.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.555 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 81.7 t90 -36.23 -56.8 0.75 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.2 tp -57.3 -57.17 13.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.6 mt -47.26 -41.35 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -61.35 -36.73 81.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -66.74 -41.3 88.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.578 HD13 ' CD2' ' A' ' 35' ' ' PHE . 9.5 mt -68.66 -49.17 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -51.46 -47.21 63.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.4 p -59.61 -34.61 72.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.827 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.29 26.41 70.55 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.442 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -71.73 -39.73 69.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.437 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 2.9 m-85 -88.99 142.26 30.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.718 0.771 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 153.35 68.95 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.346 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.71 -39.73 2.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.9 tp -69.84 104.67 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.8 m -153.32 149.65 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.614 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 96.8 m95 -77.35 119.36 20.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -59.41 -28.07 66.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.476 ' ND2' HD11 ' A' ' 34' ' ' ILE . 30.9 p30 -122.45 178.03 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -87.45 -27.94 22.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 8.9 pt-20 -62.22 -13.04 23.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.614 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 4.3 mmmm 64.19 38.06 8.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.8 m -104.79 -38.01 6.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.476 HD11 ' ND2' ' A' ' 29' ' ' ASN . 4.4 mp -114.92 142.19 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CD2' HD13 ' A' ' 17' ' ' ILE . 15.6 p90 -147.44 173.61 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -129.42 135.48 48.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.444 HG23 ' O ' ' A' ' 37' ' ' ILE . 12.3 tt -115.87 134.17 22.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.727 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.421 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.9 Cg_endo -69.7 110.35 2.52 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.721 2.281 . . . . 0.0 112.314 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.805 0.336 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.23 97.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.437 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 13.9 tp -71.31 -50.3 33.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.555 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 97.1 m-85 -54.99 -42.55 72.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.54 ' HD3' ' CZ2' ' A' ' 78' ' ' TRP . 2.3 mmmp? -51.31 -64.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -43.31 -36.55 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.555 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 72.9 t-105 -69.26 -48.21 62.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.69 99.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.585 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.8 Cg_exo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 121.554 0.564 . . . . 0.0 112.34 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 64.5 Cg_exo -47.94 -47.42 19.04 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.1 m -59.41 -47.62 84.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.54 ' CZ2' ' HD3' ' A' ' 57' ' ' LYS . 10.0 m0 -64.18 -58.24 7.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.555 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 28.0 tttm -49.08 -46.18 44.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.1 m -65.23 -58.15 6.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 21.2 mmt-85 -40.35 -52.09 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.508 HD12 ' CE2' ' A' ' 59' ' ' TRP . 27.1 tp -72.6 -50.18 27.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 83' ' ' ARG . 15.8 ttt180 -44.88 -43.83 9.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.1 t -63.58 -46.53 85.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.54 -44.09 89.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.4 tp -53.24 -38.49 63.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -81.58 -45.02 16.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -55.79 -39.42 71.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.2 p -52.01 118.0 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -80.3 -26.69 38.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 113' ' ' VAL . 0.3 OUTLIER -81.29 16.12 1.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -121.93 139.31 53.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -109.87 149.23 30.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -91.14 111.75 23.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 97' ' ' GLU . 15.9 mt -101.64 17.98 21.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 95' ' ' LEU . 6.9 p -34.47 -32.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 95' ' ' LEU . 30.8 mt-10 -49.61 -43.55 46.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -86.49 -25.26 25.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 p -51.95 131.41 31.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 7.8 mm-40 -118.66 103.28 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.5 mt -104.22 -11.34 17.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -90.94 13.19 17.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 104' ' ' SER . 46.4 pt -109.52 161.06 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 103' ' ' ILE . 2.8 m -36.41 -56.0 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -111.35 101.97 51.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 54.0 Cg_endo -69.75 145.87 58.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -159.36 147.03 17.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -107.46 128.95 54.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.437 HG12 ' CD1' ' A' ' 95' ' ' LEU . 31.3 t -98.0 141.34 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -142.6 148.05 36.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -112.43 124.62 52.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.8 mt -71.85 102.25 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 91' ' ' ASP . 3.4 t -77.7 122.74 86.18 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.555 0.693 . . . . 0.0 111.159 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -172.15 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.804 0.335 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -39.88 -65.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -64.39 -52.74 56.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.459 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 88.6 t90 -39.99 -63.22 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 16' ' ' GLN . 47.5 tp -53.62 -62.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.3 mt -40.74 -40.73 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.75 -38.9 89.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 13' ' ' LEU . 56.7 mm-40 -65.18 -38.59 90.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.571 HD13 ' CZ2' ' A' ' 27' ' ' TRP . 11.0 mt -66.96 -49.55 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -52.71 -51.54 59.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 p -56.13 -36.42 68.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.86 28.12 73.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -71.18 -40.74 71.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -89.22 143.18 30.63 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.681 0.753 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 152.75 69.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.634 2.222 . . . . 0.0 112.38 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.5 -42.52 2.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.0 tp -64.48 102.18 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.5 m -149.69 145.6 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.628 ' CD1' ' CD ' ' A' ' 32' ' ' LYS . 97.6 m95 -77.97 117.86 19.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.93 -27.38 65.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.479 ' ND2' HD13 ' A' ' 34' ' ' ILE . 41.4 p30 -123.25 178.01 5.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -85.71 -33.54 21.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 10.4 pt-20 -59.43 -14.08 10.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.628 ' CD ' ' CD1' ' A' ' 27' ' ' TRP . 23.0 mmtm 64.47 35.52 9.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.2 m -97.91 -39.92 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.479 HD13 ' ND2' ' A' ' 29' ' ' ASN . 4.3 mp -115.59 141.96 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.4 ' CD2' HD11 ' A' ' 17' ' ' ILE . 11.1 p90 -146.2 174.53 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.82 136.25 50.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.505 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 5.2 tt -113.98 137.22 22.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.726 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.505 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.9 Cg_endo -69.75 113.49 3.39 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.804 0.335 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.84 85.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.3 tp -75.23 -44.94 43.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.521 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 68.9 m-85 -58.81 -54.88 42.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.547 ' HD2' ' CH2' ' A' ' 78' ' ' TRP . 24.1 tttm -45.85 -57.87 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' TRP . . . -44.49 -55.19 5.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.459 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 29.3 t-105 -37.4 -59.71 0.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.06 -66.35 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.594 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.5 Cg_exo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 121.587 0.578 . . . . 0.0 112.325 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.1 Cg_exo -47.98 -54.64 4.94 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.727 2.285 . . . . 0.0 112.346 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.5 m -57.0 -45.39 83.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.208 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.547 ' CH2' ' HD2' ' A' ' 57' ' ' LYS . 36.3 m0 -60.88 -57.1 14.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.521 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 12.6 ttmm -56.02 -55.71 29.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.0 m -52.71 -55.21 24.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.5 mmt-85 -43.11 -60.93 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.503 HD22 ' CD1' ' A' ' 56' ' ' PHE . 34.7 tp -62.61 -60.0 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -38.93 -44.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.1 t -65.6 -55.42 17.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.22 -43.47 64.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.0 tp -53.79 -42.37 68.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -74.15 -52.01 13.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -51.88 -46.82 64.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 m -53.48 102.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -68.17 -38.9 82.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.52 -18.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -101.54 140.14 36.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 0.6 OUTLIER -112.99 147.71 36.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.509 ' HG3' ' CZ ' ' A' ' 110' ' ' TYR . 4.0 tt0 -88.97 127.4 35.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 97' ' ' GLU . 64.5 mt -105.75 22.89 14.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.462 ' C ' ' O ' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -31.99 -35.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 179.849 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 95' ' ' LEU . 11.9 mt-10 -47.07 -45.45 21.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -90.29 -19.43 24.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.451 ' HB2' ' HA ' ' A' ' 96' ' ' VAL . 14.2 m -52.08 137.79 26.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.489 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 32.7 mm-40 -128.39 104.93 7.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.3 mt -114.55 14.56 17.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -117.98 9.56 12.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.853 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -106.5 172.15 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ILE . 28.0 m -37.1 -57.81 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.408 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 24.8 t70 -114.73 104.94 53.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.9 Cg_endo -69.69 140.64 43.43 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.692 2.262 . . . . 0.0 112.352 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -157.81 147.94 20.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -107.09 127.06 53.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.474 HG11 ' N ' ' A' ' 110' ' ' TYR . 60.6 t -91.69 149.33 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.509 ' CZ ' ' HG3' ' A' ' 94' ' ' GLU . 14.7 m-85 -144.96 152.81 40.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.961 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -119.28 129.41 54.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.6 mt -80.67 102.06 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 2.3 t -73.46 123.88 89.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.636 0.731 . . . . 0.0 111.118 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -175.93 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -76.25 -51.45 12.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.387 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -148.22 139.73 23.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.03 60.61 3.05 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -60.46 -58.63 7.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.35 . . . . 0.0 110.849 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 t -109.71 104.51 13.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.69 148.3 43.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.435 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 12' ' ' TRP . 13.0 tppt? -165.31 157.44 15.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.541 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 6.9 tp -89.15 -46.25 8.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 9' ' ' LEU . 1.7 tmt_? -35.42 -61.84 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' TRP . 32.3 tp60 -75.6 -56.6 4.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.564 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 72.6 t90 -36.81 -61.05 0.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.413 ' N ' ' CE3' ' A' ' 12' ' ' TRP . 33.2 tp -53.09 -56.3 17.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.3 mt -46.84 -40.91 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -61.68 -37.27 83.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -65.99 -40.79 91.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.534 HD12 ' CZ2' ' A' ' 27' ' ' TRP . 7.1 mt -68.99 -50.64 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.484 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 5.2 t0 -56.09 -42.81 77.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.2 p -64.17 -32.74 74.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.799 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.18 28.77 73.94 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.436 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -71.57 -41.87 68.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.533 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 3.5 m-85 -91.47 142.63 27.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.665 0.745 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 154.95 67.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.16 -48.3 3.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.42 ' C ' HG11 ' A' ' 26' ' ' VAL . 17.4 tp -63.37 102.05 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.369 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.42 HG11 ' C ' ' A' ' 25' ' ' LEU . 25.2 m -141.87 148.45 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.613 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 99.3 m95 -79.4 111.13 15.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -52.18 -29.91 24.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.428 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 39.2 p30 -123.28 177.83 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.47 -30.44 23.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.428 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 13.6 pt-20 -60.84 -13.65 16.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.613 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 20.3 mmtm 64.72 33.5 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 m -98.5 -40.43 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -112.57 139.06 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.496 ' CD2' HD13 ' A' ' 17' ' ' ILE . 27.0 p90 -144.95 174.55 10.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -127.04 137.1 53.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.2 tt -114.38 130.72 23.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.67 0.748 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 115.53 4.14 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -110.62 101.97 10.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -125.28 164.86 19.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -146.32 105.01 3.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.71 -63.28 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.31 -35.88 4.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -52.13 170.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.743 0.306 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -111.58 -37.82 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -65.72 -28.0 68.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -54.38 158.48 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -77.11 120.45 22.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -86.78 -47.81 8.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' ARG . 15.4 mm-40 -34.03 -55.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -59.5 -53.45 58.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 6.1 t0 -51.38 -37.92 50.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.39 18.0 22.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.46 -44.3 68.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.069 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.533 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 22.6 tp -87.36 -45.86 10.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -53.43 -50.45 65.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.39 -51.93 24.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.92 -49.64 70.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.564 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 15.6 t-105 -43.48 -58.83 2.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.34 -67.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.4 mt -39.42 -38.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -69.64 -56.2 7.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.523 ' HD3' ' CZ3' ' A' ' 59' ' ' TRP . 28.5 mmmt -62.71 -63.17 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.06 -151.55 23.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.531 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -132.63 105.18 7.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -103.0 125.64 49.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.63 102.02 7.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -78.77 116.01 18.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.24 -43.57 1.66 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.2 mt -86.36 -57.92 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 111.125 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.08 133.51 35.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -65.5 120.67 70.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 155.6 65.58 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.52 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 4.1 m-20 -149.27 102.41 3.33 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.548 0.69 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.587 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.2 Cg_exo -47.92 -43.51 29.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.65 2.233 . . . . 0.0 112.358 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.2 Cg_exo -47.97 -49.57 13.6 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.642 2.228 . . . . 0.0 112.3 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 95.4 m -59.04 -46.59 87.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 23.1 m0 -64.38 -58.64 5.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -52.89 -54.37 35.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 35.8 m -57.24 -48.34 79.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -56.47 14.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.476 HD11 ' CG ' ' A' ' 59' ' ' TRP . 25.7 tp -66.59 -62.27 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -39.19 -41.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.8 t -69.3 -48.86 60.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.46 -44.57 84.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.7 tp -48.36 -46.64 37.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.38 -44.85 23.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -50.69 -43.69 57.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.9 t -52.58 107.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -68.94 -23.07 64.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.2 p-10 -80.16 12.84 2.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -119.1 138.84 52.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.465 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 3.8 tp10 -110.2 150.01 29.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -91.95 110.16 21.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 97' ' ' GLU . 34.6 mt -96.27 18.03 14.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.6 p -36.68 -28.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 95' ' ' LEU . 39.2 mt-10 -51.8 -43.92 63.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -91.38 -22.02 20.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.6 p -52.07 140.04 21.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.52 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 9.6 mm-40 -127.21 103.89 7.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.1 mt -111.27 12.34 21.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -117.69 16.75 14.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.52 ' CD1' ' O ' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -114.57 172.2 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 t -38.87 -59.41 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.409 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 8.1 t70 -110.56 102.1 50.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.601 0.715 . . . . 0.0 110.913 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 105' ' ' ASP . 53.8 Cg_endo -69.78 149.66 67.07 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.694 2.262 . . . . 0.0 112.329 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -167.7 151.98 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -111.64 122.77 48.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.433 HG11 ' N ' ' A' ' 110' ' ' TYR . 36.3 t -88.98 142.23 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.165 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.433 ' N ' HG11 ' A' ' 109' ' ' VAL . 15.8 m-85 -142.04 154.69 45.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.964 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 32.3 ttt180 -121.42 124.42 44.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 69.5 mt -74.07 102.21 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 91' ' ' ASP . 3.0 t -78.09 122.47 85.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.711 . . . . 0.0 111.151 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -172.07 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.682 2.254 . . . . 0.0 112.335 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -92.78 -48.84 6.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.5 t -82.35 17.95 1.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -90.26 153.34 22.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.442 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 103.47 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.2 t -48.16 -44.54 32.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.7 p -100.36 162.91 12.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.501 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -119.13 139.55 51.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.912 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.3 p -79.94 112.87 17.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.825 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.16 154.3 7.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 t -93.7 134.31 36.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.838 0.351 . . . . 0.0 110.882 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -53.53 -60.71 2.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.92 110.73 0.23 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -151.39 103.53 3.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tp -81.09 -44.25 18.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ttm105 -41.22 -67.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.468 ' C ' ' CD ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -59.6 -54.1 50.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -39.09 -50.92 1.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.76 -47.37 75.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 88.7 mt -53.64 -39.75 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.02 -41.11 97.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -68.03 -40.07 82.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.55 HD11 ' CE2' ' A' ' 35' ' ' PHE . 11.5 mt -68.71 -44.21 82.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -57.83 -45.6 85.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 p -62.12 -34.95 77.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.84 25.08 71.74 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -68.8 -44.62 73.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -83.23 137.48 42.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.662 0.744 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 146.41 60.71 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.22 -38.73 3.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.1 tp -75.42 101.97 4.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.883 0.373 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.4 m -145.69 151.87 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.59 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 98.3 m95 -78.13 121.34 24.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -67.23 -28.11 67.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.421 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 34.3 p30 -121.61 171.45 8.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -78.57 -33.3 47.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 13.9 pt-20 -57.36 -12.78 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.59 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 23.3 mmtm 62.29 33.98 16.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.1 t -104.27 -38.03 7.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.6 mt -108.73 140.04 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.55 ' CE2' HD11 ' A' ' 17' ' ' ILE . 9.8 p90 -150.02 174.61 12.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -127.37 134.53 49.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.432 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 7.0 tt -114.05 135.28 22.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 111.189 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.432 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 54.1 Cg_endo -69.77 116.0 4.35 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.552 ' CE3' ' HD2' ' A' ' 108' ' ' LYS . 2.7 t-105 -112.06 102.0 10.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -136.17 142.46 44.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.428 ' CE1' ' O ' ' A' ' 42' ' ' ALA . 8.4 t60 -84.39 149.1 26.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.428 ' O ' ' CE1' ' A' ' 41' ' ' HIS . . . -87.05 110.34 20.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.04 37.84 0.42 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -140.96 162.59 35.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.731 0.3 . . . . 0.0 110.896 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -92.0 -42.95 9.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.8 1.04 9.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 1.1 p90 -65.22 173.84 2.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -123.04 114.13 19.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.458 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 85.2 mtm-85 -68.21 -51.17 48.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' ALA . 75.2 mm-40 -57.39 -47.18 82.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -67.23 -46.21 74.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -58.54 -51.51 69.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.429 ' O ' ' CB ' ' A' ' 57' ' ' LYS . . . -98.16 17.87 17.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -57.38 -57.25 13.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.9 tp -74.5 -53.67 9.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -48.03 -48.83 32.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 11.4 tptp -46.76 -57.93 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -39.04 -58.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.589 ' CZ2' ' HD2' ' A' ' 63' ' ' LYS . 65.8 t-105 -51.88 -51.62 55.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.562 ' HB3' ' CD1' ' A' ' 78' ' ' TRP . . . -38.85 -32.3 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.085 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.1 mt -92.25 -32.39 15.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.511 ' CD1' ' CZ3' ' A' ' 59' ' ' TRP . 10.4 t80 -66.53 -64.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.589 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -88.08 -43.41 11.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.89 -32.26 83.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? 58.83 36.07 24.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.521 ' CZ ' ' HA ' ' A' ' 68' ' ' GLU . 1.2 t80 -72.67 154.88 40.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.405 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 5.1 ttm-85 -115.58 116.75 28.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 3.2 tp10 -69.39 147.78 50.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.8 -41.72 3.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.2 mt -84.99 -63.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 111.153 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -87.66 147.4 25.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -76.13 122.76 87.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.522 0.677 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 148.55 65.57 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.525 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 22.5 t0 -154.35 102.04 2.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 110.843 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.591 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.5 Cg_exo -47.96 -43.35 30.2 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 64.5 Cg_exo -48.03 -43.32 30.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.357 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.6 m -68.63 -45.26 72.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.086 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.567 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 4.8 m0 -63.52 -58.49 6.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -41.57 -42.61 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 81' ' ' ARG . 90.7 m -76.37 -52.84 9.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 81' ' ' ARG . 2.2 mmp_? -34.06 -37.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 85' ' ' ALA . 14.7 tp -79.77 -65.27 1.02 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 82' ' ' LEU . 1.6 ptp180 -34.2 -37.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 82' ' ' LEU . 2.8 t -71.89 -49.94 33.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 82' ' ' LEU . . . -56.89 -51.09 70.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.103 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.566 HD21 ' CE1' ' A' ' 110' ' ' TYR . 11.5 tp -41.6 -62.46 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -58.13 -42.42 85.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -55.15 -40.09 70.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.2 t -52.05 122.58 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -83.67 -26.64 29.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 113' ' ' VAL . 5.0 m-20 -81.95 16.7 1.78 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -121.52 142.54 49.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 11.9 tt0 -110.22 147.18 34.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -87.83 108.39 19.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 97' ' ' GLU . 22.5 mt -96.16 18.02 14.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 95' ' ' LEU . 12.2 p -37.85 -25.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 95' ' ' LEU . 39.0 mt-10 -54.1 -43.69 70.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -92.17 -22.01 20.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.5 p -52.0 134.49 32.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.538 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 14.4 mm-40 -124.31 103.56 8.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.401 HD21 ' N ' ' A' ' 107' ' ' TYR . 6.0 mt -115.54 13.39 16.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.71 16.84 14.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -115.7 -179.58 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.1 t -41.03 -59.33 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.403 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 74.6 m-20 -114.17 105.55 54.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 105' ' ' ASP . 53.7 Cg_endo -69.74 151.63 69.22 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 49.1 p90 -168.0 156.72 9.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.552 ' HD2' ' CE3' ' A' ' 39' ' ' TRP . 41.6 mttm -117.45 125.17 50.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.472 HG11 ' N ' ' A' ' 110' ' ' TYR . 26.5 t -94.05 143.56 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.566 ' CE1' HD21 ' A' ' 86' ' ' LEU . 22.6 m-85 -143.48 158.08 43.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -124.21 126.29 45.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 75.8 mt -73.28 102.04 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 91' ' ' ASP . 6.2 t -78.85 125.59 83.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.72 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 179.0 4.05 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -97.6 -50.97 4.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 28.3 p -62.24 143.91 56.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 74.16 151.13 2.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.438 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 134.8 28.84 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.706 2.271 . . . . 0.0 112.365 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.9 t -68.75 151.85 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.2 m -80.09 140.79 36.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -147.64 128.65 14.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.0 p -128.03 158.18 38.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.34 53.03 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.526 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -139.73 154.85 47.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -86.15 -58.43 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.71 -135.2 5.48 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.552 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' HE2' ' N ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -87.79 -62.55 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.805 0.336 . . . . 0.0 110.932 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.534 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . 6.0 tp -34.57 -54.83 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 9' ' ' LEU . 2.1 tmt_? -35.17 -66.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' TRP . 4.1 tp60 -72.72 -53.15 12.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.516 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 90.9 t90 -36.67 -61.32 0.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.9 tp -53.12 -58.12 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.5 mt -45.43 -42.02 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -62.3 -36.43 82.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -68.25 -41.13 81.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.56 HG23 ' CD1' ' A' ' 27' ' ' TRP . 16.5 mt -65.99 -44.72 92.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -58.31 -45.43 88.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.9 p -63.82 -34.23 77.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.6 29.0 73.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.442 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -72.14 -40.1 68.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.709 0.29 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 2.9 m-85 -90.11 144.18 30.87 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.659 0.742 . . . . 0.0 110.945 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 151.99 69.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.57 -41.17 2.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.446 ' CD1' HG12 ' A' ' 17' ' ' ILE . 15.5 tp -65.95 105.73 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.9 m -155.14 147.29 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.566 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 95.8 m95 -77.91 119.54 21.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.419 ' CD ' HG11 ' A' ' 109' ' ' VAL . 17.9 mt-10 -61.32 -30.18 70.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.409 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 31.3 p30 -121.33 176.46 5.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' N ' ' CD ' ' A' ' 30' ' ' GLU . 20.5 mp0 -83.34 -32.11 26.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.409 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.6 pt-20 -57.91 -11.99 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HD3' ' CD1' ' A' ' 27' ' ' TRP . 23.4 mmtm 63.62 34.79 12.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.1 t -106.04 -37.03 6.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.469 HG23 ' CD1' ' A' ' 95' ' ' LEU . 28.4 mt -107.52 137.42 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.454 ' N ' HG22 ' A' ' 34' ' ' ILE . 16.4 p90 -148.83 174.42 12.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -132.07 133.95 44.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.4 tt -114.19 134.17 22.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 106.39 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.555 ' CZ2' ' HE3' ' A' ' 79' ' ' LYS . 7.3 t-105 -87.03 17.06 4.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -53.64 160.4 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.537 ' HD1' ' N ' ' A' ' 43' ' ' GLY . 21.0 p80 -105.76 178.16 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.826 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.94 77.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.537 ' N ' ' HD1' ' A' ' 41' ' ' HIS . . . 60.64 -110.61 3.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.59 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -83.96 103.66 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.746 0.308 . . . . 0.0 110.906 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.507 ' C ' ' CD ' ' A' ' 45' ' ' GLN . 2.9 tm0? -45.88 -50.19 14.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.476 ' HB2' ' CD ' ' A' ' 44' ' ' LYS . 3.2 m-20 -45.26 -31.17 1.43 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -58.81 174.97 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -79.06 109.41 13.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.643 ' H ' ' NE ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -99.49 -26.29 14.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -66.09 -45.79 79.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -75.23 -52.24 11.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.53 -40.82 88.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.01 17.11 21.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.69 -52.36 60.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.563 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 7.4 tp -54.15 -46.51 72.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -57.77 -60.74 3.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.565 ' HG3' ' CE3' ' A' ' 78' ' ' TRP . 21.4 mtpp -47.3 -47.65 25.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 62' ' ' PHE . . . -48.17 -44.22 32.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.572 ' CZ2' ' HE3' ' A' ' 63' ' ' LYS . 31.7 t-105 -67.99 -53.58 24.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.46 -49.32 61.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.08 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.5 mt -72.69 -40.48 66.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 58' ' ' ALA . 5.4 t80 -56.83 -57.8 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.572 ' HE3' ' CZ2' ' A' ' 59' ' ' TRP . 1.5 tppp? -73.18 -66.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.41 -156.17 27.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -139.42 108.2 5.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.428 ' CE1' ' O ' ' A' ' 67' ' ' ARG . 3.1 t80 -119.62 139.11 52.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.428 ' O ' ' CE1' ' A' ' 66' ' ' PHE . 18.2 mtt180 -89.17 120.22 30.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.488 ' C ' ' CD ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -71.84 -57.91 3.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.33 -66.28 1.66 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.463 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.6 mt -41.73 -43.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 111.101 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -109.37 157.85 18.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -85.53 135.19 38.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.529 0.681 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 135.4 30.25 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.661 2.24 . . . . 0.0 112.369 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.531 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 5.7 m-20 -139.05 102.01 7.6 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.599 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 66.9 Cg_exo -48.03 -43.31 30.73 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.0 Cg_exo -48.0 -44.78 26.94 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.727 2.284 . . . . 0.0 112.32 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.8 m -60.99 -48.26 82.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.571 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 6.2 m0 -66.28 -58.49 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.555 ' HE3' ' CZ2' ' A' ' 39' ' ' TRP . 4.3 tmtm? -38.67 -50.49 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 81' ' ' ARG . 91.3 m -68.49 -55.31 12.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.455 ' NE ' ' HA ' ' A' ' 81' ' ' ARG . 2.5 mmp_? -35.82 -56.11 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.517 HD12 ' CD1' ' A' ' 59' ' ' TRP . 67.0 tp -67.69 -56.72 8.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' LEU . 50.5 ttt180 -35.28 -47.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.3 t -55.53 -57.78 10.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -47.62 -48.34 28.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.416 HD23 ' CE1' ' A' ' 110' ' ' TYR . 11.8 tp -47.77 -63.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -58.44 -43.58 88.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -53.12 -40.92 64.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.7 t -52.32 124.05 12.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -90.6 -29.25 17.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.1 m-20 -80.32 14.12 2.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -114.89 145.2 42.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -109.82 150.92 27.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -92.48 109.1 20.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 97' ' ' GLU . 20.8 mt -96.14 18.09 14.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 95' ' ' LEU . 11.5 p -35.42 -30.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 95' ' ' LEU . 2.1 mp0 -53.24 -43.84 67.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -86.78 -22.84 25.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.408 ' HB2' ' HA ' ' A' ' 96' ' ' VAL . 3.4 m -52.12 133.84 33.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.437 ' CB ' HD13 ' A' ' 103' ' ' ILE . 29.1 mm-40 -124.59 104.83 8.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.4 mt -106.39 -16.17 14.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.12 12.9 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.437 HD13 ' CB ' ' A' ' 100' ' ' GLN . 33.7 pt -108.47 160.54 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 103' ' ' ILE . 5.5 t -36.28 -55.13 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -112.73 102.02 53.84 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.673 0.749 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.01 58.84 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -158.66 148.19 19.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.431 ' HE3' ' CE2' ' A' ' 39' ' ' TRP . 49.7 mttt -107.41 129.97 54.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 95' ' ' LEU . 19.3 t -101.04 143.09 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.416 ' CE1' HD23 ' A' ' 86' ' ' LEU . 27.0 m-85 -143.77 152.34 41.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -118.17 127.44 53.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 77.4 mt -74.24 102.08 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 91' ' ' ASP . 4.3 t -76.98 122.64 86.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.651 0.739 . . . . 0.0 111.104 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -174.27 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.321 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -76.39 177.46 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.0 p -124.86 145.67 49.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -151.64 164.52 30.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.5 45.68 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.627 2.218 . . . . 0.0 112.38 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.4 p -150.96 176.76 10.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.9 m -44.28 -44.27 7.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -96.93 132.63 42.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.862 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.5 m -150.85 143.82 24.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.16 39.73 2.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.434 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.3 m -70.03 143.13 52.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.897 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -101.6 171.4 7.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.81 48.85 0.53 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -84.79 -43.97 13.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.353 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 tp -42.54 -44.95 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.956 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -43.54 -64.67 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -67.75 -53.88 23.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.551 ' CH2' HD12 ' A' ' 55' ' ' LEU . 91.1 t90 -37.66 -61.17 0.64 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.8 tp -53.06 -58.82 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.0 mt -42.69 -40.91 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -65.38 -38.72 90.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -68.51 -40.95 80.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.468 HG23 ' NE1' ' A' ' 27' ' ' TRP . 11.8 mt -65.9 -50.41 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -51.55 -45.43 63.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.0 p -63.03 -36.13 82.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.43 25.06 71.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm -70.66 -39.35 73.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.519 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 4.5 m-85 -86.39 138.46 34.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.676 0.751 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 146.77 61.22 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.32 -37.65 3.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.5 tp -76.21 107.49 8.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 0.0 110.937 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.3 m -153.73 151.94 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.622 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 90.9 m95 -77.45 125.2 28.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -65.81 -26.53 67.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.421 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 28.8 p30 -125.03 174.5 7.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -83.47 -25.81 30.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.6 pt-20 -63.08 -11.59 20.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.622 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 2.9 mmmm 62.45 35.57 14.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -105.45 -38.08 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 mt -111.42 143.63 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -149.31 169.6 20.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.05 132.79 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.9 tt -114.82 134.42 22.44 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.576 0.703 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 112.79 3.17 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.526 ' CD2' ' HD2' ' A' ' 108' ' ' LYS . 3.8 t-105 -104.61 102.02 11.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -137.05 122.83 19.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.569 ' CE1' ' HA3' ' A' ' 43' ' ' GLY . 2.3 p-80 -83.03 170.68 14.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.5 ' O ' ' C ' ' A' ' 43' ' ' GLY . . . -45.04 -42.96 8.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.569 ' HA3' ' CE1' ' A' ' 41' ' ' HIS . . . -29.37 -45.4 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.532 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.438 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -93.86 116.96 29.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.715 0.293 . . . . 0.0 110.95 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -97.97 -47.86 5.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -41.4 -36.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.438 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -52.31 176.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -82.94 121.81 27.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -98.0 -61.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -57.42 -51.75 68.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -60.89 -52.52 64.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -59.07 -37.68 77.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . -69.68 -35.76 75.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -37.08 -46.68 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.551 HD12 ' CH2' ' A' ' 12' ' ' TRP . 14.1 tp -64.5 -67.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.557 ' CD1' HD21 ' A' ' 82' ' ' LEU . 61.7 m-85 -47.62 -59.14 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.495 ' HG3' ' CZ2' ' A' ' 78' ' ' TRP . 78.0 tttt -44.79 -50.17 10.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.03 -40.56 45.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.568 ' CH2' ' HD3' ' A' ' 63' ' ' LYS . 76.5 t-105 -59.04 -41.23 87.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.22 -54.03 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.2 mt -60.15 -41.87 93.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 62' ' ' PHE . 3.9 t80 -65.85 -56.95 9.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.568 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 30.0 mmmt -58.91 -65.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.942 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.14 -147.94 18.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.535 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -134.91 110.51 9.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.485 ' CD1' ' C ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -132.35 157.09 45.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.475 ' O ' ' CZ ' ' A' ' 66' ' ' PHE . 15.9 mmt180 -121.37 135.62 55.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 69' ' ' GLY . 3.9 pt-20 -91.21 -31.49 16.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.447 ' N ' ' HG3' ' A' ' 68' ' ' GLU . . . -83.47 -38.11 11.26 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.463 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 53.1 mt -81.79 -59.99 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 111.119 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.44 169.94 10.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.78 121.04 60.63 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.554 0.692 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 150.06 67.83 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.531 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 8.8 m-20 -148.8 101.93 3.43 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.586 0.707 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.588 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.8 Cg_exo -47.91 -43.38 29.85 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.713 2.276 . . . . 0.0 112.377 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 64.9 Cg_exo -47.93 -22.26 3.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 35.2 m -87.35 -47.03 9.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.553 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 5.7 m0 -64.24 -53.27 51.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.547 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 32.8 mtpt -48.97 -46.36 43.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.1 m -67.62 -51.8 45.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.423 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 19.0 mmt180 -56.69 -20.38 21.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.557 HD21 ' CD1' ' A' ' 56' ' ' PHE . 21.6 tp -95.24 -40.3 9.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.8 ttm105 -69.66 -33.78 73.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 81' ' ' ARG . 12.1 p -58.28 -50.01 75.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.3 -48.54 41.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.6 tp -43.17 -36.14 1.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -83.14 -46.47 12.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -56.8 -30.77 64.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 t -52.02 117.12 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -87.16 -24.34 24.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 113' ' ' VAL . 30.8 m-20 -79.88 12.34 2.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -118.26 143.97 46.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.441 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 4.0 tp10 -110.04 151.15 27.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -92.75 109.96 21.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 97' ' ' GLU . 40.9 mt -97.46 17.97 16.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.4 p -34.96 -30.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 95' ' ' LEU . 43.6 mt-10 -49.38 -43.96 44.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -88.79 -25.81 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.8 p -52.01 130.65 30.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.446 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 17.2 mm-40 -119.07 102.55 8.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.7 mt -102.94 -16.93 15.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -83.83 18.0 2.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.401 HD11 ' CB ' ' A' ' 100' ' ' GLN . 23.3 pt -114.03 163.57 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.5 m -38.55 -49.9 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.84 101.98 51.62 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.611 0.719 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.467 ' HG2' ' O ' ' A' ' 39' ' ' TRP . 53.7 Cg_endo -69.76 147.58 63.19 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 47.3 p90 -158.02 144.28 17.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.526 ' HD2' ' CD2' ' A' ' 39' ' ' TRP . 12.4 mttm -106.99 123.7 48.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.917 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.469 HG12 ' CD1' ' A' ' 95' ' ' LEU . 42.8 t -94.39 138.8 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -138.08 152.88 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -118.34 127.4 53.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.5 mt -72.63 101.99 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 91' ' ' ASP . 5.9 t -79.48 122.56 84.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 0.0 111.2 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -176.41 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -86.55 177.84 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.5 t -127.12 140.52 52.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.05 162.6 12.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 111.77 2.89 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 84.3 p -89.57 149.94 22.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.2 m -115.85 167.33 11.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.501 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -82.42 -45.16 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.871 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.0 p -137.03 147.53 46.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.56 -140.83 24.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.8 m -153.32 153.49 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 7' ' ' GLY . 37.4 m -135.0 146.1 48.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.92 105.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -148.04 123.55 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.434 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 4.8 tp -77.68 -46.06 23.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' LEU . 30.5 ttt-85 -37.48 -65.39 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' TRP . 22.7 tp60 -69.01 -56.14 8.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.566 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 90.3 t90 -36.61 -61.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.526 HD22 ' CE2' ' A' ' 35' ' ' PHE . 24.7 tp -53.59 -61.17 2.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt -42.77 -41.33 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.16 -40.32 97.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -67.93 -40.41 83.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.519 HG23 ' CE2' ' A' ' 27' ' ' TRP . 9.0 mt -64.87 -50.38 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -52.34 -51.04 61.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.6 p -56.47 -43.87 80.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.56 27.93 64.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -71.34 -40.49 70.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -90.57 143.14 28.69 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.675 0.75 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 152.44 69.62 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.99 -40.56 2.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.1 tp -69.96 102.03 1.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.9 m -149.67 148.27 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.605 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 98.7 m95 -77.34 121.54 23.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -64.71 -22.76 67.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.429 ' ND2' ' CG ' ' A' ' 31' ' ' GLU . 31.8 p30 -130.4 177.44 7.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -85.5 -23.56 27.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.429 ' CG ' ' ND2' ' A' ' 29' ' ' ASN . 13.3 pt-20 -68.0 -8.28 36.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.605 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 22.5 mmtm 59.81 32.12 21.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 t -101.15 -39.23 7.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.472 HG23 ' CD1' ' A' ' 95' ' ' LEU . 22.0 mt -109.57 137.28 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.526 ' CE2' HD22 ' A' ' 13' ' ' LEU . 6.4 p90 -147.04 173.73 12.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -130.94 132.93 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.454 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 9.4 tt -114.54 135.72 22.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.638 0.732 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.454 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.5 Cg_endo -69.82 110.98 2.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.308 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -96.58 15.35 21.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -72.41 148.36 45.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -148.32 120.19 8.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -103.2 165.55 10.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.88 65.88 0.45 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.425 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.608 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 24.8 mttm -146.48 158.84 43.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.745 0.307 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -97.49 -53.57 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -40.99 -37.61 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -57.17 177.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -92.87 107.41 19.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -95.02 -31.47 13.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.452 ' N ' ' HG2' ' A' ' 49' ' ' ARG . 26.2 mm-40 -65.8 -40.49 91.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -75.45 -58.65 3.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -50.81 -46.42 59.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.24 17.53 10.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.81 94.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.541 HD11 ' CH2' ' A' ' 12' ' ' TRP . 53.0 tp -61.86 -52.49 63.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.466 ' CD2' HD23 ' A' ' 82' ' ' LEU . 39.3 m-85 -63.39 -43.74 96.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.537 ' HD2' ' CH2' ' A' ' 78' ' ' TRP . 15.1 tptt -50.45 -48.32 56.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.4 89.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.566 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 26.4 t-105 -49.52 -59.35 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.82 -66.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.08 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.0 mt -45.57 -40.78 9.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -64.29 -65.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 59' ' ' TRP . 31.8 mmmt -49.89 -63.71 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.416 ' C ' ' HD2' ' A' ' 65' ' ' LYS . . . -104.8 -146.28 14.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 64' ' ' GLY . 4.0 mptt -139.02 109.63 6.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 71' ' ' ASP . 0.8 OUTLIER -134.88 160.54 37.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.495 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 7.6 mmp_? -126.97 126.79 43.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -80.42 -38.2 30.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.31 -37.04 54.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.482 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.4 mt -86.46 -52.58 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.34 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.568 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 7.4 t0 -90.78 175.69 6.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -96.74 120.3 62.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.554 0.692 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 125.26 11.91 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.67 2.246 . . . . 0.0 112.294 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.529 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 6.6 m-20 -128.87 102.38 19.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.571 0.701 . . . . 0.0 110.834 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.598 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.9 Cg_exo -48.03 -43.47 30.36 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 63.3 Cg_exo -47.96 -51.57 9.69 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.366 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.7 m -54.04 -47.12 71.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.562 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 9.7 m0 -65.63 -48.37 72.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.99 -54.85 39.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.515 ' HA ' ' CD ' ' A' ' 83' ' ' ARG . 56.9 m -62.62 -42.7 99.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -58.14 -51.91 67.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 56' ' ' PHE . 25.5 tp -67.07 -67.23 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.515 ' CD ' ' HA ' ' A' ' 80' ' ' THR . 17.6 ptt180 -32.79 -46.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.481 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 3.2 t -60.93 -61.07 2.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -42.23 -55.54 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.2 tp -42.71 -56.59 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -62.87 -41.95 99.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -40.0 67.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -52.24 115.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -77.3 -29.97 53.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 113' ' ' VAL . 7.4 m-20 -78.67 11.02 2.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -115.49 142.06 47.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.476 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 3.3 tp10 -110.06 150.11 29.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -92.38 110.42 21.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 97' ' ' GLU . 58.8 mt -96.11 18.03 14.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 96' ' ' VAL . 6.4 p -35.36 -31.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.134 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 95' ' ' LEU . 73.2 mt-10 -52.26 -43.39 64.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -85.81 -26.2 25.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 p -51.99 131.96 31.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.492 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 14.6 mm-40 -117.92 102.11 8.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.7 mt -102.91 -17.93 15.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.06 17.92 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 27.4 pt -112.96 166.3 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.3 m -42.86 -46.94 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -120.05 102.0 46.82 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.631 0.729 . . . . 0.0 110.836 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.8 Cg_endo -69.71 146.07 59.35 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.492 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 48.9 p90 -156.26 147.95 22.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -107.19 125.76 51.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.42 HG12 ' CD1' ' A' ' 95' ' ' LEU . 48.2 t -96.58 141.07 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.404 ' C ' HD13 ' A' ' 95' ' ' LEU . 24.1 m-85 -140.54 152.22 45.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -119.29 124.99 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 71.8 mt -71.56 102.0 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 91' ' ' ASP . 7.2 t -79.04 122.54 84.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 111.118 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -174.7 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 116' ' ' SER . 9.2 pt-20 -62.38 -41.82 98.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 55.8 m -136.96 158.33 44.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -159.33 171.67 35.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 6.5 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.676 2.251 . . . . 0.0 112.286 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 87.9 p -101.46 113.99 27.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.9 m -151.28 159.45 44.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.486 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 1' ' ' GLY . 27.4 t -37.71 -51.36 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 m -91.52 118.85 30.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.36 149.38 18.23 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -60.91 118.26 6.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.38 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m -56.36 165.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.74 59.15 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.443 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -117.61 121.33 40.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.578 HD11 ' CH2' ' A' ' 59' ' ' TRP . 16.8 tp -83.16 -44.39 15.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -45.05 -68.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' TRP . 22.1 tp60 -60.86 -58.99 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' GLN . 81.3 t90 -36.7 -58.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.2 tp -57.36 -59.6 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.0 mt -42.88 -41.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.14 -37.56 85.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -68.25 -38.15 81.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.516 HG22 ' CE2' ' A' ' 27' ' ' TRP . 7.5 mt -69.15 -49.98 57.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -51.95 -47.57 64.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 p -63.32 -34.97 78.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.69 28.74 73.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -72.49 -38.06 68.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.532 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 5.5 m-85 -88.82 141.17 29.63 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.662 0.744 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 145.53 57.39 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.82 -42.34 3.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 17' ' ' ILE . 15.5 tp -66.89 102.34 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.6 m -145.27 146.37 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.592 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 99.3 m95 -78.33 111.96 14.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -58.23 -28.59 65.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.417 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 34.4 p30 -122.76 163.02 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -72.09 -32.7 67.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.417 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 12.6 pt-20 -56.47 -13.3 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.592 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 21.3 mmtm 62.71 32.69 16.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.6 p -105.21 -34.12 8.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.4 mt -111.47 133.87 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.466 ' CD2' HD11 ' A' ' 17' ' ' ILE . 13.3 p90 -143.7 170.98 14.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -122.97 135.65 54.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 tt -114.36 132.08 22.97 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.637 0.732 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 108.63 2.12 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.643 2.229 . . . . 0.0 112.393 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.456 ' CE2' ' HE3' ' A' ' 108' ' ' LYS . 3.4 t-105 -96.23 13.5 27.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -73.55 156.58 37.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.49 178.02 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . . . -59.15 -66.13 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.35 -74.16 0.41 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.474 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -65.83 163.59 16.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.769 0.319 . . . . 0.0 110.895 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -110.78 -37.98 5.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -59.41 -29.07 67.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 42' ' ' ALA . 4.9 p90 -51.99 178.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.0 116.49 20.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 51' ' ' GLU . 17.6 mtm180 -53.89 -59.21 4.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 49' ' ' ARG . 7.4 pt-20 -34.74 -34.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 49' ' ' ARG . 4.2 tp10 -74.79 -68.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -46.0 -40.02 9.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . -85.34 -20.49 29.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.05 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -32.39 -40.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.532 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 25.8 tp -78.1 -57.76 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.561 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 87.8 m-85 -53.93 -56.71 15.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.519 ' HG3' ' CE2' ' A' ' 78' ' ' TRP . 46.1 tttm -45.08 -59.29 2.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -40.75 -41.11 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.065 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.578 ' CH2' HD11 ' A' ' 9' ' ' LEU . 29.9 t-105 -52.16 -48.75 64.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.49 -59.71 4.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.4 HD22 ' O ' ' A' ' 66' ' ' PHE . 7.5 mt -48.25 -38.83 19.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -73.73 -57.3 4.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.524 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 30.4 mmmt -57.02 -61.97 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -106.01 -155.11 21.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.464 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 65' ' ' LYS . 3.0 mppt? -127.83 103.14 7.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -130.96 150.82 51.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.451 ' CB ' HD13 ' A' ' 70' ' ' ILE . 3.8 mmm-85 -117.62 131.13 56.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.52 -34.91 69.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 70' ' ' ILE . . . -94.91 -76.3 1.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.529 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.451 HD13 ' CB ' ' A' ' 67' ' ' ARG . 4.3 mp -34.99 -50.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.365 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.567 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 1.8 t70 -94.87 174.8 6.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -100.98 121.14 53.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.563 0.696 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 113.52 3.39 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.519 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 22.4 t70 -120.35 102.06 46.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.591 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.6 Cg_exo -47.98 -43.45 30.12 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.9 Cg_exo -47.98 -60.47 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.258 . . . . 0.0 112.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.3 m -50.54 -44.46 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.519 ' CE2' ' HG3' ' A' ' 57' ' ' LYS . 28.4 m0 -63.28 -41.54 99.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.561 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 32.7 mtpt -73.65 -67.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 81' ' ' ARG . 36.7 m -39.04 -68.36 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 80' ' ' THR . 5.1 mpt_? -36.2 -68.34 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.8 tp -49.59 -41.5 42.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.432 ' HG2' ' CH2' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -58.44 -41.32 84.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.61 -42.19 74.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.97 -50.19 73.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.9 tp -40.7 -56.58 2.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -61.48 -43.79 98.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -50.51 -41.05 53.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.0 m -52.15 116.02 2.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -86.69 -27.39 23.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 113' ' ' VAL . 0.8 OUTLIER -81.75 15.48 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -113.48 145.0 41.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.426 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 7.3 tp10 -110.2 151.05 27.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -93.08 109.78 21.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 97' ' ' GLU . 12.6 mt -97.65 18.03 16.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.5 p -37.88 -26.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 95' ' ' LEU . 30.8 mt-10 -57.36 -42.6 82.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -90.61 -23.81 20.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.5 p -52.0 139.52 22.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.577 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 13.1 mm-40 -125.2 102.87 7.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.4 mt -114.03 14.59 18.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -117.92 17.91 14.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.461 ' CD1' ' H ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -117.32 177.56 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.1 m -42.4 -60.31 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -110.61 102.09 50.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.635 0.731 . . . . 0.0 110.835 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.5 Cg_endo -69.75 151.54 69.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 31.8 p90 -164.73 152.23 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.456 ' HE3' ' CE2' ' A' ' 39' ' ' TRP . 41.6 mttt -110.36 123.0 49.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.456 HG11 ' N ' ' A' ' 110' ' ' TYR . 45.7 t -91.65 140.9 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.456 ' N ' HG11 ' A' ' 109' ' ' VAL . 20.8 m-85 -144.16 154.04 42.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -120.73 127.01 51.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.2 mt -74.5 103.02 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 91' ' ' ASP . 5.4 t -78.43 123.49 85.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.642 0.734 . . . . 0.0 111.063 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -174.45 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.31 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 116' ' ' SER . 8.9 pt-20 -87.06 -42.83 12.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.436 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 35.7 t -130.98 117.4 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -112.9 -172.9 18.7 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -50.43 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.747 2.298 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.6 t -67.73 -52.5 36.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.5 t -148.02 156.56 42.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.545 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 64.55 42.03 5.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -39.65 -58.64 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.42 132.28 11.03 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.7 m -146.18 169.17 19.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.341 . . . . 0.0 110.871 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 t -148.17 114.1 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.69 63.42 1.91 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.461 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -72.58 -42.87 64.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.411 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 6.3 tp -59.9 -47.93 83.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -47.03 -64.41 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' TRP . 1.5 tp60 -64.42 -58.67 5.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.516 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 85.1 t90 -38.01 -56.16 1.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.4 -54.46 46.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -47.98 -39.04 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -65.7 -39.48 91.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -65.79 -40.81 92.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.571 ' HB ' ' CZ2' ' A' ' 27' ' ' TRP . 9.1 mt -69.4 -48.7 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.512 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 8.2 t70 -50.5 -47.34 57.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 p -64.99 -33.55 76.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.5 29.0 73.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -70.41 -38.6 74.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.55 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 2.6 m-85 -87.73 140.94 31.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.663 0.744 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 148.05 63.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.703 2.269 . . . . 0.0 112.311 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.44 -45.43 3.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.407 ' C ' HG12 ' A' ' 26' ' ' VAL . 18.3 tp -67.77 101.99 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.934 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.407 HG12 ' C ' ' A' ' 25' ' ' LEU . 29.4 m -141.49 146.29 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.613 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 99.4 m95 -77.15 116.34 17.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -58.73 -23.06 59.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -131.32 177.68 7.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -85.8 -25.79 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -66.34 -6.52 14.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.613 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 22.5 mmtm 58.6 32.1 21.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.6 t -99.79 -40.09 7.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.6 mt -109.35 137.18 42.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -147.03 174.76 11.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -128.66 136.51 50.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 12.0 tt -114.11 130.88 23.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.647 0.737 . . . . 0.0 111.165 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.415 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.2 Cg_endo -69.77 113.25 3.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.306 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.577 ' CE3' ' HD2' ' A' ' 108' ' ' LYS . 6.7 t-105 -94.77 18.04 12.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.54 ' CD ' ' HD2' ' A' ' 106' ' ' PRO . 13.8 mmmt -52.1 140.08 21.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -95.98 175.26 6.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.46 102.14 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.79 41.37 1.53 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.42 ' CG ' ' HB3' ' A' ' 47' ' ' TYR . 30.6 tttp -159.4 159.22 33.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -117.98 -30.83 5.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -95.75 13.74 25.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.447 ' CE2' ' HG2' ' A' ' 49' ' ' ARG . 16.0 p90 -82.29 169.21 16.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -106.36 116.14 31.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.447 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 44.1 mtm-85 -68.89 -42.87 76.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -54.69 -46.73 74.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -73.91 -47.31 38.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.02 -40.78 70.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.32 17.39 24.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.78 -42.69 17.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.55 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 10.5 tp -67.92 -59.5 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -50.69 -57.67 7.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -40.83 -55.59 2.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.69 -44.28 47.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.516 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 31.4 t-105 -52.42 -57.15 10.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.72 -64.71 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.4 mt -48.03 -35.71 11.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 62' ' ' PHE . 5.6 t80 -70.04 -55.59 9.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -60.39 -63.86 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.89 -159.66 22.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.436 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -125.21 102.04 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -107.52 116.36 31.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.475 ' CB ' ' HB ' ' A' ' 70' ' ' ILE . 82.6 mmt-85 -73.47 108.97 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -62.51 -40.77 97.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.72 -57.54 2.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.475 ' HB ' ' CB ' ' A' ' 67' ' ' ARG . 64.4 mt -57.83 -56.82 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 111.135 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -89.7 159.36 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -94.67 138.05 22.35 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 146.65 61.07 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.727 2.285 . . . . 0.0 112.387 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.535 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 2.8 p30 -149.81 103.89 3.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.617 0.722 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.589 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.5 Cg_exo -48.03 -43.21 30.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.709 2.273 . . . . 0.0 112.319 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.7 Cg_exo -48.01 -48.81 15.34 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.0 m -63.14 -44.52 95.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.411 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 36.1 m0 -60.75 -48.78 80.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -72.03 -65.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.6 m -36.34 -65.31 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.446 ' N ' ' HD2' ' A' ' 81' ' ' ARG . 0.4 OUTLIER -42.42 -67.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.497 HD11 ' CD1' ' A' ' 59' ' ' TRP . 27.7 tp -46.99 -59.8 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -39.22 -50.09 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.84 -46.73 87.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.91 -50.67 71.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.8 tp -44.22 -49.9 9.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -69.68 -42.93 73.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -53.52 -40.08 65.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.1 t -52.1 105.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -72.19 -27.42 62.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.1 m-20 -80.3 13.34 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -114.09 143.72 44.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.444 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 1.2 tp10 -109.93 147.16 33.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -89.22 110.4 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 97' ' ' GLU . 10.2 mt -98.88 17.96 18.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.44 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 14.8 p -35.08 -28.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 95' ' ' LEU . 35.8 mt-10 -52.04 -41.05 61.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 4.3 mtp85 -89.79 -24.75 21.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.44 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 8.0 p -52.01 124.36 12.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.423 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 13.1 mm-40 -116.76 101.98 9.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.8 mt -100.8 -17.11 17.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.33 18.02 1.92 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 21.4 pt -113.84 164.04 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.4 m -41.8 -47.22 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -118.83 102.07 49.78 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.621 0.724 . . . . 0.0 110.816 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.54 ' HD2' ' CD ' ' A' ' 40' ' ' LYS . 53.1 Cg_endo -69.86 142.93 48.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.295 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 38.6 p90 -154.72 146.24 23.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.577 ' HD2' ' CE3' ' A' ' 39' ' ' TRP . 11.9 mttm -108.07 126.75 53.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.489 HG13 ' CD1' ' A' ' 95' ' ' LEU . 96.1 t -94.92 143.01 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.443 ' N ' HG11 ' A' ' 109' ' ' VAL . 31.4 m-85 -144.72 152.35 40.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -119.63 126.59 51.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 73.1 mt -71.72 102.0 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 91' ' ' ASP . 4.7 t -77.39 124.9 86.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 111.142 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -174.5 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -96.07 170.32 9.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.3 t -60.47 148.75 36.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.67 144.63 45.97 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -30.49 22.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.651 2.234 . . . . 0.0 112.347 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.8 t -92.92 174.56 7.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.0 t -85.31 -55.8 3.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 3' ' ' SER . 58.2 m -90.5 -60.79 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.369 . . . . 0.0 110.816 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 2' ' ' SER . 21.5 t -36.99 -52.22 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.3 -177.57 43.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.8 p -72.03 138.44 47.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -115.63 115.29 26.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.62 79.9 0.93 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 12' ' ' TRP . 25.5 mtpp -118.57 119.29 34.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.488 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 4.5 tp -91.75 -47.9 7.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -44.39 -67.23 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' TRP . 5.2 tp60 -61.51 -60.37 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.532 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 85.5 t90 -36.62 -58.19 0.74 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.6 tp -56.71 -57.29 13.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.7 mt -46.64 -42.11 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.56 -37.51 81.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 46.2 mm-40 -66.73 -39.91 88.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.532 HD13 ' CZ2' ' A' ' 27' ' ' TRP . 8.2 mt -68.02 -47.22 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -55.33 -45.32 76.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.2 p -66.09 -34.52 78.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.815 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.12 29.4 74.84 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.543 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -73.39 -38.67 65.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.427 ' CE1' ' HB3' ' A' ' 16' ' ' GLN . 1.6 m-85 -89.88 141.83 28.51 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.645 0.736 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 149.29 66.92 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.11 -36.76 2.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 17' ' ' ILE . 17.0 tp -73.4 103.29 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.4 m -153.0 146.57 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.585 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 81.6 m95 -77.4 122.33 25.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -67.33 -24.04 65.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.428 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 32.2 p30 -124.93 170.36 11.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -79.54 -32.34 42.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.428 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 8.5 pt-20 -55.57 -13.77 1.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.585 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 2.4 mmmp? 63.12 37.38 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 t -110.04 -37.85 5.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.7 mt -106.79 138.78 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -148.54 173.68 12.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -127.49 134.72 49.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.433 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 13.8 tt -114.05 134.9 22.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 111.109 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.433 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.8 Cg_endo -69.74 113.49 3.39 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.731 2.288 . . . . 0.0 112.37 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -109.25 102.03 10.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -140.33 141.35 35.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -108.65 176.52 5.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 43' ' ' GLY . . . -40.03 -35.96 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -34.26 -44.19 0.38 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.52 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -59.01 159.54 7.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.744 0.307 . . . . 0.0 110.876 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -145.12 151.29 38.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 52.27 32.01 10.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.52 ' CD1' ' HB3' ' A' ' 44' ' ' LYS . 18.3 p90 -108.72 177.86 4.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -77.03 109.29 10.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.1 ttp85 -91.08 -48.56 6.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.25 -46.12 68.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -55.27 -50.61 69.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -39.78 95.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . -67.7 -36.8 81.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -33.96 -39.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.1 tp -73.57 -67.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -47.25 -52.89 14.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.559 ' HE3' ' CE1' ' A' ' 66' ' ' PHE . 17.7 tptm -47.6 -57.41 5.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.98 -42.54 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.575 ' CH2' ' HD3' ' A' ' 63' ' ' LYS . 34.0 t-105 -56.96 -50.17 73.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.68 -62.43 1.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.3 mt -51.44 -40.83 60.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.424 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 3.5 t80 -65.29 -52.04 56.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.575 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 25.2 mmmt -64.73 -65.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.98 -152.64 21.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -130.85 103.22 6.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.559 ' CE1' ' HE3' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -114.34 134.3 55.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.511 ' CB ' ' HB ' ' A' ' 70' ' ' ILE . 13.2 mmm180 -89.69 116.57 27.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.456 ' HA ' ' CE1' ' A' ' 66' ' ' PHE . 10.5 tt0 -58.54 -38.63 78.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.99 -63.86 0.99 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.511 ' HB ' ' CB ' ' A' ' 67' ' ' ARG . 83.5 mt -48.11 -45.39 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -100.72 141.28 33.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 129.6 82.51 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.596 0.712 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 110.97 2.68 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.536 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 1.7 p30 -118.93 101.95 49.69 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.53 0.681 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.597 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.4 Cg_exo -47.95 -43.31 30.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.1 Cg_exo -48.01 -40.44 33.35 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.7 m -67.4 -48.98 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.564 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 7.4 m0 -61.41 -45.34 94.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -63.76 -47.64 80.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.8 m -61.31 -46.29 90.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -51.86 -58.66 5.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.9 tp -65.97 -53.6 36.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -44.67 -51.49 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.98 -53.99 22.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' ASN . . . -59.11 -47.65 84.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.7 tp -41.88 -21.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ALA . 5.8 t-20 -96.84 -54.54 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -49.7 -30.87 9.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.9 p -55.91 102.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -76.92 -26.58 54.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 113' ' ' VAL . 2.3 p-10 -78.2 10.78 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -116.6 143.34 45.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.427 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.8 tt0 -109.9 144.94 37.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -85.13 108.08 17.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 97' ' ' GLU . 13.6 mt -96.75 18.02 15.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 95' ' ' LEU . 2.6 p -35.96 -34.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.194 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 95' ' ' LEU . 81.3 mt-10 -46.04 -44.13 15.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -88.24 -25.21 22.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.8 p -52.04 139.9 21.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.488 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 14.6 mm-40 -125.6 106.04 9.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.2 mt -113.75 13.16 18.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -117.98 18.0 14.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -115.84 177.61 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 t -43.05 -59.47 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -112.62 105.37 56.0 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.556 0.693 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 151.79 69.12 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.341 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.451 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 49.0 p90 -165.77 152.1 9.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -112.01 124.67 52.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.0 t -92.94 144.94 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -145.13 158.41 43.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -122.96 126.5 47.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 71.2 mt -72.87 102.01 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 91' ' ' ASP . 7.5 t -81.01 124.05 81.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.681 0.753 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.96 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.664 2.243 . . . . 0.0 112.372 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 116' ' ' SER . 13.1 pt-20 -66.71 -44.36 81.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.469 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 53.3 p -113.83 155.74 25.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -123.27 160.23 17.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 4.32 2.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.237 . . . . 0.0 112.377 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.1 m -111.2 153.61 25.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 74.5 m -75.63 -53.9 7.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m -125.79 162.9 24.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 m -54.94 -62.15 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.819 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.43 47.35 0.82 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -83.65 112.34 19.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.856 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 m -74.05 115.85 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.418 ' C ' ' HG3' ' A' ' 8' ' ' LYS . . . -68.25 146.65 46.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.458 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' HG3' ' C ' ' A' ' 7' ' ' GLY . 20.8 mtmt -147.91 133.74 19.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.797 0.332 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tp -91.18 -45.64 8.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -44.77 -64.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -64.18 -53.67 45.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.561 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 76.4 t90 -40.73 -59.59 1.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.6 tp -57.32 -59.65 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.8 mt -44.03 -39.94 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -61.46 -40.67 95.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -64.27 -38.08 89.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.551 HD13 ' CZ2' ' A' ' 27' ' ' TRP . 8.9 mt -67.01 -49.87 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -51.83 -55.83 17.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.2 p -54.03 -33.32 56.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.29 27.19 68.84 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -69.55 -38.84 77.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.502 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 3.2 m-85 -87.98 141.21 31.23 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.703 0.763 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.36 56.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.38 -43.67 3.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.524 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.81 102.43 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.3 m -150.44 146.38 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.573 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 93.0 m95 -77.15 109.75 11.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -55.35 -30.05 59.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.479 ' CG ' ' CG ' ' A' ' 31' ' ' GLU . 42.3 p30 -123.08 153.08 40.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.4 -31.77 73.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.479 ' CG ' ' CG ' ' A' ' 29' ' ' ASN . 12.7 pt-20 -54.52 -14.12 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.573 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 0.8 OUTLIER 62.74 36.11 13.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.9 m -108.31 -37.7 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.9 mt -110.74 139.89 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -145.19 167.87 21.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.439 ' HB2' ' CD2' ' A' ' 107' ' ' TYR . 1.4 ptt180 -121.48 139.57 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.418 HG13 ' HD2' ' A' ' 38' ' ' PRO . 7.8 tt -116.87 134.63 22.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.651 0.739 . . . . 0.0 111.08 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.418 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.1 Cg_endo -69.8 111.78 2.91 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.732 2.288 . . . . 0.0 112.296 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.401 ' O ' ' HG2' ' A' ' 106' ' ' PRO . 2.4 t-105 -113.2 102.0 9.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -121.96 158.89 28.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 42' ' ' ALA . 37.2 t-80 -115.35 156.13 26.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 43' ' ' GLY . . . -36.43 -46.32 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -33.87 -59.49 0.57 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -62.9 140.1 58.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.741 0.305 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -112.74 -37.45 4.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -44.88 -33.36 1.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -52.48 174.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -126.57 124.92 41.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 53' ' ' ALA . 32.5 mtm180 -68.79 -46.59 68.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.8 -47.24 81.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -61.25 -61.46 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -38.67 73.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 49' ' ' ARG . . . -69.73 -35.95 75.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.41 -54.14 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.502 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 49.6 tp -57.94 -55.88 29.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.562 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 67.8 m-85 -57.87 -66.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.527 ' HD2' ' CZ3' ' A' ' 78' ' ' TRP . 54.2 tttt -35.32 -46.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.4 -48.0 77.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.561 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 57.8 t-105 -52.87 -47.5 67.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.544 ' CB ' ' CD1' ' A' ' 78' ' ' TRP . . . -55.8 -51.53 67.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 62' ' ' PHE . 7.2 mt -61.12 -57.97 10.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 61' ' ' LEU . 75.9 t80 -34.32 -64.22 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.16 -54.9 37.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.427 ' C ' ' HE3' ' A' ' 65' ' ' LYS . . . 132.73 36.0 0.3 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.427 ' HE3' ' C ' ' A' ' 64' ' ' GLY . 0.4 OUTLIER -94.67 -35.97 11.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.915 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 68' ' ' GLU . 10.1 t80 -107.42 138.78 43.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.425 ' HG2' ' CD1' ' A' ' 70' ' ' ILE . 0.6 OUTLIER -118.02 15.37 14.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.861 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 18.0 tt0 52.8 44.22 30.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 162.85 -67.2 0.23 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.425 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 95.1 mt -48.6 -48.53 14.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 111.139 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -93.47 170.89 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -98.93 127.47 35.08 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 103.25 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.352 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.536 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 68.8 m-20 -128.11 101.97 21.99 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.599 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 66.0 Cg_exo -48.02 -43.26 30.81 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.323 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.4 Cg_exo -48.02 -52.31 8.46 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.365 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.0 m -66.33 -44.96 81.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.544 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 22.9 m0 -54.74 -44.82 73.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.562 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 62.2 tttt -68.86 -58.64 3.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.3 m -44.83 -43.09 8.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -54.53 -57.1 12.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.494 HD21 ' CE1' ' A' ' 56' ' ' PHE . 16.7 tp -63.56 -51.88 63.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -45.49 -44.2 12.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.32 -48.88 47.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 86' ' ' LEU . . . -58.08 -63.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 85' ' ' ALA . 27.4 tp -35.68 -49.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.51 -44.12 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -41.23 67.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 t -56.21 102.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -64.84 -38.17 90.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -57.5 -12.6 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -108.98 133.51 52.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.482 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.5 tt0 -109.83 153.8 23.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.552 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 9.5 tt0 -111.35 116.05 30.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.6 mt -92.74 101.96 14.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.437 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.1 OUTLIER -79.16 -36.81 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -48.59 -30.77 5.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -100.93 -15.3 17.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.437 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 42.8 p -61.09 127.49 31.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.495 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 27.3 mm-40 -121.72 102.05 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.8 mt -116.79 14.0 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -117.5 18.03 14.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 104' ' ' SER . 0.2 OUTLIER -117.62 171.02 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 103' ' ' ILE . 2.0 m -35.63 -56.16 0.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.82 105.58 51.26 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.401 ' HG2' ' O ' ' A' ' 39' ' ' TRP . 53.7 Cg_endo -69.78 139.81 41.07 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.625 2.217 . . . . 0.0 112.352 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.495 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 49.0 p90 -157.9 146.0 18.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -107.05 129.93 54.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.7 t -88.93 147.1 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.552 ' CE2' ' HB2' ' A' ' 94' ' ' GLU . 10.8 m-85 -134.36 170.53 15.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -139.68 125.17 19.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 93.3 mt -74.25 102.38 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 3.3 t -72.68 124.74 91.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.653 0.74 . . . . 0.0 111.109 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 178.05 4.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.685 2.257 . . . . 0.0 112.343 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -97.54 155.98 16.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.4 m -59.75 151.74 24.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -140.57 159.18 26.3 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 147.95 63.67 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.379 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.1 t -91.03 165.37 13.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 91.2 p -87.95 151.57 22.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.432 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t -125.24 132.25 52.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 0.0 110.89 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 p -149.26 139.7 22.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.89 -171.96 18.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -52.44 -46.54 66.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.904 0.383 . . . . 0.0 110.85 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -63.7 137.63 58.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.808 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.13 134.59 7.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -87.28 101.99 14.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.353 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.542 HD12 ' CH2' ' A' ' 59' ' ' TRP . 4.7 tp -75.17 -47.5 28.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -39.49 -67.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.478 ' C ' ' CD ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -63.95 -55.65 20.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' GLN . 90.7 t90 -36.7 -59.63 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.79 -53.63 55.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.6 mt -45.41 -44.49 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.38 -36.86 81.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -66.57 -43.37 85.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.529 HG21 ' CE2' ' A' ' 27' ' ' TRP . 8.3 mt -69.65 -45.12 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.478 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 14.5 t0 -58.97 -47.08 86.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 p -59.16 -33.47 70.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.59 27.78 72.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -72.6 -38.55 67.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.535 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 3.5 m-85 -90.16 145.06 32.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.667 0.746 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 154.4 67.82 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.327 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.68 -48.64 2.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.429 ' C ' HG11 ' A' ' 26' ' ' VAL . 12.0 tp -61.24 102.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.429 HG11 ' C ' ' A' ' 25' ' ' LEU . 24.7 m -149.57 146.14 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.641 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 90.6 m95 -77.29 114.16 15.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -55.06 -29.61 57.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.508 ' ND2' ' CG ' ' A' ' 31' ' ' GLU . 44.3 p30 -123.27 170.8 9.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -79.76 -35.68 38.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.508 ' CG ' ' ND2' ' A' ' 29' ' ' ASN . 8.0 pt-20 -53.73 -14.63 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.641 ' HD3' ' CD1' ' A' ' 27' ' ' TRP . 6.4 mmtp 64.71 33.17 10.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.2 m -98.04 -41.48 7.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 35' ' ' PHE . 3.7 mp -112.47 141.79 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.464 ' N ' HG23 ' A' ' 34' ' ' ILE . 4.9 p90 -144.64 175.18 10.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.533 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 3.2 ptt180 -129.39 134.03 47.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.437 HG23 ' O ' ' A' ' 37' ' ' ILE . 17.1 tt -114.02 131.45 23.16 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.644 0.735 . . . . 0.0 111.078 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 116.06 4.38 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -96.18 17.55 15.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -57.04 132.04 51.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -87.36 168.69 12.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -106.2 121.6 44.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.62 -41.52 0.86 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -86.94 159.72 18.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.711 0.291 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -113.14 -38.0 4.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -59.8 -31.73 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.445 ' CE1' ' HB3' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -63.79 174.27 1.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -91.63 103.13 15.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -88.03 -32.67 18.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.447 ' N ' ' HG2' ' A' ' 49' ' ' ARG . 21.5 tt0 -54.97 -31.55 60.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -78.77 -56.26 4.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.466 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -53.25 -34.76 58.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.58 17.89 23.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.15 -42.74 73.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.535 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 11.6 tp -63.44 -51.57 65.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 58.1 m-85 -51.88 -45.22 64.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 58' ' ' ALA . 39.7 mtpt -57.56 -55.64 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' LYS . . . -37.14 -43.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.542 ' CH2' HD12 ' A' ' 9' ' ' LEU . 22.4 t-105 -61.65 -55.89 25.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.43 -43.61 79.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mt -65.01 -46.76 80.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -62.2 -55.66 26.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.534 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 12.2 mmmm -60.82 -63.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.56 -146.41 19.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -140.42 109.0 5.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.782 0.325 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -110.9 105.35 14.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.484 ' HG2' ' CD1' ' A' ' 70' ' ' ILE . 5.0 tpt180 -63.83 105.26 0.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.426 ' C ' ' CD ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -64.66 119.39 10.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.95 -53.7 0.74 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.484 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 70.1 mt -73.76 -49.91 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 111.082 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.26 134.71 36.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.15 119.91 74.87 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 145.04 55.83 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.523 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 18.9 t70 -153.8 101.97 2.51 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.567 0.698 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.589 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.0 Cg_exo -47.97 -43.62 29.64 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.688 2.258 . . . . 0.0 112.359 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.2 Cg_exo -47.97 -38.22 31.01 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.649 2.233 . . . . 0.0 112.356 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.5 m -72.41 -50.65 24.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.563 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 10.1 m0 -58.54 -52.27 66.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.408 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 29.0 mttt -52.04 -58.95 5.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.5 m -54.06 -49.06 69.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -43.59 -60.55 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.5 tp -65.06 -40.36 94.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -52.72 -42.64 65.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.2 t -68.22 -46.04 71.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.61 -54.74 43.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.3 tp -44.09 -54.31 5.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -61.12 -45.33 95.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -56.0 -42.84 77.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.7 t -53.18 107.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -77.64 -29.51 51.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.58 7.64 4.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -119.86 135.77 54.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.443 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.4 tt0 -111.46 141.07 45.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 110' ' ' TYR . 1.7 tt0 -92.05 113.43 25.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 111' ' ' ARG . 28.2 mt -98.27 102.04 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.448 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.1 OUTLIER -87.88 -35.78 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -48.9 -40.78 31.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -89.6 -16.52 30.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.448 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 26.9 p -59.76 126.82 29.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 8.8 mm-40 -119.88 103.15 9.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 mt -116.13 12.58 15.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -111.92 2.15 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 104' ' ' SER . 0.2 OUTLIER -101.6 164.14 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 103' ' ' ILE . 9.8 t -32.04 -58.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -110.52 102.12 50.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.4 Cg_endo -69.76 148.48 65.17 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.338 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.533 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 33.7 p90 -166.46 154.33 10.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -108.95 131.15 55.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 110' ' ' TYR . 91.3 t -93.56 139.42 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 94' ' ' GLU . 9.8 m-85 -130.94 168.87 16.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.471 ' HB2' ' CD1' ' A' ' 95' ' ' LEU . 6.0 ttt180 -133.05 126.0 30.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 86.5 mt -73.88 102.78 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.443 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 4.0 t -76.71 125.05 87.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.74 . . . . 0.0 111.129 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -178.68 2.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.303 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -77.25 -51.06 11.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 66.6 m -108.95 145.66 35.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -73.19 -178.63 35.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -7.19 20.42 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.724 2.283 . . . . 0.0 112.326 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.3 m -81.79 131.13 35.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.818 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 72.2 m -147.3 168.72 21.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -77.68 143.18 38.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.916 0.389 . . . . 0.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 t -69.01 -58.39 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.75 95.12 0.14 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -63.61 -55.62 22.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m 57.72 43.73 21.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.92 -85.65 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.47 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.08 43.84 30.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.481 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 10.6 tp -91.71 -46.79 7.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -40.66 -66.21 0.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 12' ' ' TRP . 15.5 tp60 -63.54 -55.01 27.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.504 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 83.7 t90 -36.7 -61.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 16' ' ' GLN . 46.9 tp -54.72 -61.06 2.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.8 mt -41.04 -42.89 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -60.63 -39.59 88.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.446 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 50.1 mm-40 -64.57 -39.08 93.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.566 HD13 ' CZ2' ' A' ' 27' ' ' TRP . 7.4 mt -67.99 -51.97 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -49.33 -54.24 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 p -56.94 -33.53 67.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.08 29.59 74.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -73.46 -38.7 65.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.759 0.314 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.446 ' CE1' ' HB3' ' A' ' 16' ' ' GLN . 1.6 m-85 -89.18 142.05 29.69 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.651 0.739 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 150.17 68.16 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.71 2.273 . . . . 0.0 112.358 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.2 -31.45 2.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.566 ' CD1' ' CE1' ' A' ' 35' ' ' PHE . 12.8 tp -77.64 105.42 8.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.4 m -156.04 145.31 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.6 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 87.9 m95 -77.34 124.09 27.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -72.2 -25.87 61.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.4 p30 -122.36 175.61 6.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -81.98 -34.48 29.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -55.51 -13.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.6 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 18.8 mmtm 63.12 32.03 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.7 t -105.67 -37.43 6.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.446 HG22 ' CD1' ' A' ' 95' ' ' LEU . 27.9 mt -102.19 130.23 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.566 ' CE1' ' CD1' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -147.19 165.06 31.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.428 ' N ' ' CD1' ' A' ' 35' ' ' PHE . 1.6 ptp180 -115.39 133.48 56.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.477 ' HB ' ' CE1' ' A' ' 35' ' ' PHE . 16.6 tt -113.28 130.19 23.87 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.667 0.746 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 111.37 2.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.323 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 -91.05 16.5 9.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -55.99 121.25 8.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -87.73 163.21 16.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.89 117.14 9.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.09 -76.6 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.447 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 28.8 mttm -66.02 172.47 3.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -117.5 -37.84 3.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -59.81 -31.93 70.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.555 ' CE1' ' HG2' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -61.6 177.84 0.37 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.821 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -90.9 125.21 35.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.555 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 29.8 mtm105 -97.95 -47.35 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 7.1 pt-20 -60.06 -40.75 90.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 3.9 tp10 -77.56 -46.88 20.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -64.24 -31.03 72.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -110.0 17.39 21.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.79 -46.72 67.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.3 tp -58.79 -61.8 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -52.81 -49.28 65.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.427 ' HG2' ' CD1' ' A' ' 61' ' ' LEU . 33.1 tttt -56.63 -47.93 78.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.38 -46.84 47.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.504 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 73.6 t-105 -53.28 -52.79 57.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.07 -62.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.047 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.461 ' O ' ' C ' ' A' ' 62' ' ' PHE . 5.4 mt -54.59 -63.62 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.461 ' C ' ' O ' ' A' ' 61' ' ' LEU . 27.0 t80 -33.64 -67.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -50.11 -39.73 43.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 111.27 37.14 1.68 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.459 ' HE2' ' CZ ' ' A' ' 81' ' ' ARG . 21.6 mmmt -98.03 -35.65 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -120.64 158.24 27.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -143.04 104.53 4.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 69' ' ' GLY . 18.3 tt0 -55.95 144.78 27.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 68' ' ' GLU . . . 89.1 -43.78 3.07 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.49 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 88.8 mt -83.89 -60.93 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.357 . . . . 0.0 111.119 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.75 172.96 6.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -93.17 128.73 41.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.561 0.696 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 128.61 16.29 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.334 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.534 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 9.8 t70 -133.92 102.06 12.43 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.625 0.726 . . . . 0.0 110.824 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.586 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.5 Cg_exo -48.02 -43.3 30.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.2 Cg_exo -48.01 -18.93 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.702 2.268 . . . . 0.0 112.318 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.8 m -92.85 -44.86 8.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.496 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 3.5 m0 -65.09 -58.45 6.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -48.74 -53.94 16.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.1 m -55.57 -61.56 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.459 ' CZ ' ' HE2' ' A' ' 65' ' ' LYS . 36.1 mtp85 -41.49 -67.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.9 tp -53.69 -44.33 69.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -55.26 -40.02 70.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.23 -50.25 61.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.23 -42.7 70.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.6 tp -48.4 -48.81 36.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -65.79 -46.04 80.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -50.53 -40.17 51.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.6 m -52.31 116.88 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.808 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -86.35 -29.33 23.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 113' ' ' VAL . 3.0 m-20 -77.84 9.22 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -106.72 142.67 35.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.479 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 5.9 tp10 -109.69 149.87 29.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -93.6 113.21 25.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.602 ' O ' ' N ' ' A' ' 97' ' ' GLU . 9.2 mt -102.07 18.02 21.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 95' ' ' LEU . 6.6 p -32.32 -30.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.3 OUTLIER -48.73 -42.75 36.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -91.94 -23.35 19.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.438 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 26.1 p -52.01 126.32 18.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.417 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 11.3 mm-40 -118.43 108.69 15.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.0 mt -117.01 15.43 15.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.93 17.64 14.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.427 ' CD1' ' H ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -117.41 177.43 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.0 m -44.11 -59.63 2.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -110.5 103.3 53.94 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.564 0.697 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 143.11 49.69 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.311 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 46.7 p90 -156.66 150.9 25.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.978 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.409 ' O ' HG22 ' A' ' 37' ' ' ILE . 41.1 mttm -114.16 124.34 51.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 95' ' ' LEU . 90.4 t -89.82 137.94 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -140.67 149.28 42.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -117.75 121.12 39.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 78.3 mt -72.7 101.96 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 91' ' ' ASP . 4.0 t -75.82 119.64 78.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.62 0.724 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 179.79 3.42 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.722 2.281 . . . . 0.0 112.318 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -76.93 -51.79 10.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.0 m -116.93 172.28 7.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 176.26 -177.78 47.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 4.73 2.02 Favored 'Trans proline' 0 N--CA 1.466 -0.129 0 C-N-CA 122.703 2.269 . . . . 0.0 112.38 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 71.0 m -69.61 -57.8 4.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.1 m -126.45 120.0 28.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -129.56 128.01 41.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -63.74 -52.02 62.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.63 166.13 4.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -66.33 -47.1 74.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 110.855 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -69.23 151.97 45.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.25 -179.34 28.68 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.463 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.37 102.78 10.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.526 HD11 ' CZ2' ' A' ' 59' ' ' TRP . 5.7 tp -83.42 -47.21 11.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -39.55 -62.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -68.3 -52.12 37.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -39.93 -60.48 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' GLN . 50.7 tp -56.17 -61.9 2.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -41.4 -41.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.22 -37.65 83.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 13' ' ' LEU . 49.6 mm-40 -66.59 -42.26 87.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.542 HG22 ' CD1' ' A' ' 27' ' ' TRP . 14.1 mt -67.73 -51.54 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.402 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 3.1 t70 -53.91 -44.07 70.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 p -63.94 -34.1 77.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.97 29.05 73.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -71.95 -41.47 67.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.751 0.31 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 2.0 m-85 -88.55 143.65 32.45 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.674 0.75 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 148.27 65.06 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.748 2.299 . . . . 0.0 112.334 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.33 -43.34 3.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.5 tp -67.42 102.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.9 m -148.34 147.47 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.572 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 98.0 m95 -78.46 116.65 19.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -58.68 -28.34 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.47 ' ND2' HD12 ' A' ' 34' ' ' ILE . 43.2 p30 -121.26 178.22 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -86.52 -30.86 21.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.427 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.4 pt-20 -61.92 -14.83 38.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.572 ' HD3' ' CD1' ' A' ' 27' ' ' TRP . 24.5 mmtm 65.79 34.63 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m -97.16 -42.09 8.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.47 HD12 ' ND2' ' A' ' 29' ' ' ASN . 4.5 mp -113.17 141.6 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.503 ' CG ' HD12 ' A' ' 17' ' ' ILE . 6.6 p90 -147.1 174.8 11.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.428 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 0.4 OUTLIER -127.26 137.03 52.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 tt -116.18 133.88 22.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 122.58 9.26 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.692 2.262 . . . . 0.0 112.321 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -105.82 17.96 22.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.444 ' HG2' ' HD2' ' A' ' 106' ' ' PRO . 6.4 mmmt -51.97 151.74 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -99.55 113.6 26.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.3 108.28 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.17 -47.18 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.539 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 4.4 mptt -60.4 165.38 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.728 0.299 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -103.37 -38.0 7.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.98 -20.44 65.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.539 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -63.38 177.29 0.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' HB3' ' CB ' ' A' ' 51' ' ' GLU . 13.8 m-20 -95.05 118.01 31.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.455 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 82.0 mtm-85 -80.37 -50.94 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 54' ' ' ALA . 14.9 mt-10 -64.44 -44.84 89.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' CB ' ' HB3' ' A' ' 48' ' ' ASN . 8.0 tp10 -58.11 -49.01 78.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.54 -45.25 80.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.28 17.92 7.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -75.12 -44.67 45.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.423 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 14.2 tp -66.95 -61.22 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.939 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -48.53 -54.79 13.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.565 ' HD3' ' CZ2' ' A' ' 78' ' ' TRP . 1.0 OUTLIER -42.35 -56.45 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.04 -48.34 11.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.558 ' CZ2' ' HE2' ' A' ' 63' ' ' LYS . 39.7 t-105 -62.27 -63.26 1.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 59' ' ' TRP . . . -36.24 -54.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.45 ' CD2' ' O ' ' A' ' 66' ' ' PHE . 6.3 mt -71.08 -41.39 70.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -56.19 -66.22 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.558 ' HE2' ' CZ2' ' A' ' 59' ' ' TRP . 10.8 tppt? -68.26 -61.21 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.42 -158.56 34.41 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -136.62 109.74 7.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.484 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 1.4 t80 -132.53 159.19 40.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.484 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 26.0 mtt85 -123.79 128.76 50.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 69' ' ' GLY . 5.0 pt-20 -86.87 -31.13 20.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 68' ' ' GLU . . . -92.27 -35.43 6.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.9 mp -86.14 -49.32 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 111.112 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -98.93 155.41 17.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.85 127.97 84.41 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 131.89 22.21 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.329 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.532 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 23.1 m-20 -135.11 101.97 11.13 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.603 0.716 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.598 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.1 Cg_exo -48.0 -43.31 30.58 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.246 . . . . 0.0 112.377 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.0 Cg_exo -48.0 -41.91 32.53 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.451 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 16.3 m -67.11 -48.56 67.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.576 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 4.2 m0 -62.2 -55.0 32.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -53.64 -59.05 5.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.5 m -57.1 -50.51 72.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 77' ' ' THR . 0.7 OUTLIER -40.75 -58.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.4 -48.79 71.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -41.63 -42.56 2.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.67 -44.33 74.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 86' ' ' LEU . . . -59.12 -62.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 85' ' ' ALA . 12.9 tp -35.91 -49.34 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -69.85 -45.13 68.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -52.95 -43.86 66.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.1 t -53.24 117.83 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -81.51 -27.34 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 113' ' ' VAL . 88.3 m-20 -77.68 8.43 4.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -121.07 133.93 55.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.442 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.7 tt0 -109.94 141.35 42.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.507 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 1.1 tt0 -93.59 113.05 25.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.1 mt -97.49 101.99 13.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.444 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.0 OUTLIER -87.67 -35.68 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -51.62 -40.54 60.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -89.49 -17.66 28.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.444 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 9.2 p -59.8 140.88 56.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 41.1 mm-40 -131.54 102.14 5.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.0 mt -117.45 14.83 14.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -117.9 9.6 12.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.45 ' O ' ' C ' ' A' ' 104' ' ' SER . 0.2 OUTLIER -109.12 167.4 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 103' ' ' ILE . 7.7 m -33.87 -55.13 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.99 104.55 54.93 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.629 0.728 . . . . 0.0 110.851 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.444 ' HD2' ' HG2' ' A' ' 40' ' ' LYS . 54.1 Cg_endo -69.72 147.7 63.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.38 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.428 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 32.3 p90 -166.29 152.03 8.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -111.42 123.54 50.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.0 t -85.3 146.07 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.507 ' CE2' ' HB2' ' A' ' 94' ' ' GLU . 9.7 m-85 -139.66 167.94 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -131.26 126.94 36.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 84.4 mt -72.99 102.52 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.078 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.442 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 3.5 t -77.96 127.04 82.9 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.648 0.737 . . . . 0.0 111.132 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -175.71 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -106.14 141.5 37.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 68.3 m -83.16 106.77 15.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -106.59 146.59 16.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 122.56 9.23 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.707 2.271 . . . . 0.0 112.363 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -82.39 156.03 24.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 49.9 m -96.12 103.52 15.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.449 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t -142.81 135.48 27.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -125.38 109.46 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.11 66.6 3.76 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.549 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t -124.5 110.17 14.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 110.867 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.5 p -70.44 151.58 45.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.53 83.9 1.66 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 9' ' ' LEU . 2.8 mtpm? -90.09 -30.48 17.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.817 0.341 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 8' ' ' LYS . 5.1 tp -33.67 -39.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 92' ' ' PHE . 21.2 ttt-85 -44.27 -67.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -70.57 -49.96 42.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.567 ' CH2' HD13 ' A' ' 55' ' ' LEU . 76.2 t90 -41.25 -63.7 0.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' GLN . 29.4 tp -56.25 -57.03 13.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.6 mt -42.86 -40.23 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -65.32 -34.39 78.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' LEU . 40.0 mm-40 -71.04 -40.99 71.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.547 HG23 ' CD1' ' A' ' 27' ' ' TRP . 18.4 mt -67.21 -45.44 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -56.76 -44.39 81.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 p -65.87 -37.4 86.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.48 29.89 74.54 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -74.02 -38.28 64.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -88.91 142.1 30.16 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.673 0.749 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 153.45 69.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.282 . . . . 0.0 112.339 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.37 -41.04 2.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 tp -72.9 102.23 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.6 m -146.87 148.38 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.621 ' CD1' ' CD ' ' A' ' 32' ' ' LYS . 99.8 m95 -77.5 116.25 17.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -58.36 -29.7 66.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.453 ' ND2' HD12 ' A' ' 34' ' ' ILE . 35.0 p30 -120.95 176.47 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -84.35 -31.39 24.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.9 pt-20 -61.47 -13.92 24.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.621 ' CD ' ' CD1' ' A' ' 27' ' ' TRP . 16.7 mmtm 64.78 37.41 7.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.6 m -102.96 -37.38 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.453 HD12 ' ND2' ' A' ' 29' ' ' ASN . 4.1 mp -115.85 127.6 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.488 ' CG ' HD13 ' A' ' 17' ' ' ILE . 12.0 p90 -131.83 174.62 9.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.471 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 1.7 ptt180 -129.09 136.02 49.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.488 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 2.7 tt -114.22 137.3 22.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.488 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.3 Cg_endo -69.8 117.95 5.39 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.719 2.279 . . . . 0.0 112.292 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.526 ' CD2' ' HD2' ' A' ' 108' ' ' LYS . 4.5 t-105 -112.37 102.81 10.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -126.23 153.36 44.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -84.53 149.88 25.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.23 126.06 32.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 172.49 30.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.432 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 1.8 mmpt? -147.44 138.59 23.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.714 0.292 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.14 -37.99 4.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.32 -30.75 62.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.432 ' CE1' ' O ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -71.38 170.42 13.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.813 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.43 ' ND2' ' HB2' ' A' ' 51' ' ' GLU . 41.7 t-20 -73.8 106.88 5.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -75.2 -61.43 1.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 54' ' ' ALA . 9.2 pt-20 -47.38 -36.47 9.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.43 ' HB2' ' ND2' ' A' ' 48' ' ' ASN . 36.4 tt0 -64.4 -57.12 10.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 6.5 t0 -57.62 -35.59 70.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.22 17.89 23.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -66.49 -32.05 73.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.567 HD13 ' CH2' ' A' ' 12' ' ' TRP . 7.0 tp -84.87 -55.2 4.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 96.6 m-85 -45.36 -49.11 13.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.504 ' HG3' ' N ' ' A' ' 58' ' ' ALA . 19.6 ptmt -54.32 -50.51 67.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.504 ' N ' ' HG3' ' A' ' 57' ' ' LYS . . . -48.39 -36.7 15.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.534 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 67.4 t-105 -65.99 -46.09 79.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.52 -52.15 54.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.92 -48.0 83.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -61.27 -58.65 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.512 ' HG3' ' CE2' ' A' ' 59' ' ' TRP . 23.4 mmmt -65.13 -63.54 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -82.59 -155.05 16.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 65' ' ' LYS . 1.2 tmtp? -140.32 102.24 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -127.21 138.39 53.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.95 129.43 48.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.474 ' CD ' ' N ' ' A' ' 69' ' ' GLY . 1.3 tm-20 -71.57 146.89 48.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.474 ' N ' ' CD ' ' A' ' 68' ' ' GLU . . . 77.88 -61.06 3.75 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 24.5 mt -53.2 -60.36 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 0.0 111.117 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -95.85 139.68 31.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -74.5 119.54 77.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.551 0.691 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.423 ' HB2' ' CH2' ' A' ' 78' ' ' TRP . 53.8 Cg_endo -69.81 160.69 48.77 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.686 2.258 . . . . 0.0 112.338 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.536 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 8.9 t70 -151.55 101.97 2.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.588 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.5 Cg_exo -47.92 -43.31 30.09 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.673 2.249 . . . . 0.0 112.362 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.7 Cg_exo -48.01 -48.93 15.03 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.2 m -62.62 -47.8 82.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.461 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 33.4 m0 -57.02 -43.14 81.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.571 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -66.87 -68.27 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.3 m -42.93 -60.1 1.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.442 ' N ' ' HD2' ' A' ' 81' ' ' ARG . 2.1 mpt_? -42.03 -52.31 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 83' ' ' ARG . 15.2 tp -64.06 -62.05 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 82' ' ' LEU . 23.4 mtp180 -34.71 -38.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.2 t -69.89 -58.65 3.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -48.78 -49.36 39.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.7 tp -52.57 -41.07 63.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -73.0 -52.35 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -51.6 -50.09 60.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 m -53.84 102.24 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.411 ' C ' ' N ' ' A' ' 92' ' ' PHE . 50.7 t30 -68.96 -43.29 75.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -43.29 -23.72 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 10' ' ' ARG . 3.2 m-85 -100.59 135.49 41.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.7 tt0 -109.43 144.68 37.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.552 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 1.0 OUTLIER -100.35 117.73 35.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 111' ' ' ARG . 18.5 mt -101.67 102.03 12.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.456 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.1 OUTLIER -88.17 -33.89 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -49.98 -39.15 40.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -91.29 -14.94 29.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.456 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 34.7 p -60.03 137.09 58.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.495 ' HB2' ' CE2' ' A' ' 107' ' ' TYR . 28.4 mm-40 -125.95 103.67 7.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.1 mt -109.3 -14.25 14.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -89.6 17.81 6.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 104' ' ' SER . 11.6 pt -112.85 157.49 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 103' ' ' ILE . 23.2 t -35.93 -43.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -121.19 101.99 43.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.615 0.721 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.435 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 54.5 Cg_endo -69.7 140.74 43.63 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.345 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.495 ' CE2' ' HB2' ' A' ' 100' ' ' GLN . 44.8 p90 -158.03 148.77 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.526 ' HD2' ' CD2' ' A' ' 39' ' ' TRP . 14.9 mttm -107.92 127.04 53.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 97.2 t -88.49 145.66 7.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.552 ' CE2' ' HB2' ' A' ' 94' ' ' GLU . 11.3 m-85 -136.43 168.23 19.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.424 ' HB2' ' CD1' ' A' ' 95' ' ' LEU . 6.6 ttt85 -135.87 126.15 26.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 94.2 mt -76.43 102.68 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 2.5 t -74.34 126.18 89.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 111.134 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 179.98 3.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.402 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 116' ' ' SER . 8.5 pt-20 -75.47 -38.72 59.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 15.3 t -155.0 125.94 7.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -77.65 167.44 53.83 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 143.62 51.59 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.5 m -75.21 108.62 8.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.2 t -62.61 -52.65 62.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -133.43 176.07 8.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -92.45 162.72 14.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.0 -132.99 2.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 6' ' ' SER . 47.3 m -125.14 134.52 52.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.848 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 5' ' ' SER . 16.8 m -37.65 -45.55 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -153.42 94.44 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.495 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 7' ' ' GLY . 24.1 mmtt -35.42 -61.39 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 tp -67.23 -42.23 84.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -42.38 -63.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -70.17 -49.85 46.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.559 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 79.9 t90 -41.76 -60.8 1.25 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.6 tp -53.88 -58.02 8.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.1 mt -42.95 -43.66 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.106 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -60.82 -40.16 91.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -65.79 -44.86 84.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.47 HG21 ' NE1' ' A' ' 27' ' ' TRP . 14.4 mt -64.19 -42.24 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -63.13 -53.75 48.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.4 ' HB2' ' CG ' ' A' ' 21' ' ' LYS . 12.1 p -52.03 -31.7 31.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.5 30.31 76.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.4 ' CG ' ' HB2' ' A' ' 19' ' ' SER . 17.1 mttt -75.01 -39.46 61.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.448 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 2.4 m-85 -90.23 139.78 27.1 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.672 0.749 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 149.99 67.61 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.246 . . . . 0.0 112.395 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.89 -46.17 3.64 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.436 ' C ' HG12 ' A' ' 26' ' ' VAL . 14.4 tp -64.08 101.97 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.436 HG12 ' C ' ' A' ' 25' ' ' LEU . 35.5 m -144.74 146.72 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.095 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.588 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 97.1 m95 -77.68 114.3 16.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.22 -31.22 69.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.442 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 41.3 p30 -121.67 145.23 48.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -57.28 -35.55 69.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 8.4 pt-20 -52.42 -15.03 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.588 ' HD3' ' CD1' ' A' ' 27' ' ' TRP . 13.3 mmtp 63.92 35.19 11.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.5 m -104.32 -37.54 7.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.407 HD11 ' ND2' ' A' ' 29' ' ' ASN . 19.1 mt -113.15 145.36 19.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -150.67 174.65 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.557 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 0.5 OUTLIER -127.23 136.17 51.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.8 tt -113.76 132.1 22.76 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.734 . . . . 0.0 111.099 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 112.3 3.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.371 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -98.1 15.45 24.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -54.72 121.35 8.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.475 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 54.7 t-80 -65.15 169.59 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.475 ' N ' ' CG ' ' A' ' 41' ' ' HIS . . . -79.48 15.5 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.27 -44.65 2.25 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.84 148.49 51.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -108.81 -34.2 6.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -78.11 -0.41 28.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.565 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -64.69 125.97 26.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.94 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.4 ' C ' ' HD3' ' A' ' 49' ' ' ARG . 3.2 m120 -53.99 -13.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER 39.64 32.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 4.3 pt-20 -117.98 -37.99 3.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 2.7 tp10 -79.02 -48.22 14.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -59.53 -47.91 83.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . -74.56 -29.71 61.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -34.41 -43.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.077 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.448 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 10.2 tp -73.89 -67.89 0.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 89.2 m-85 -42.23 -53.99 3.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.525 ' HG3' ' CE2' ' A' ' 78' ' ' TRP . 59.3 tttt -55.33 -58.77 6.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -39.32 -55.08 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.566 ' CD1' HD11 ' A' ' 82' ' ' LEU . 57.5 t-105 -49.58 -50.26 43.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.5 76.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.079 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 64' ' ' GLY . 14.6 mt -63.83 -65.66 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.472 ' C ' ' O ' ' A' ' 61' ' ' LEU . 32.0 t80 -32.03 -64.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.45 ' HD3' ' CZ3' ' A' ' 59' ' ' TRP . 19.0 mmmt -52.12 -42.25 63.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 114.73 43.54 0.74 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.545 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -102.38 -34.93 9.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 77.9 t80 -122.08 166.54 14.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.508 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 17.2 mmt180 -141.95 105.41 4.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -52.28 110.82 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.89 -41.17 2.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.422 ' HB ' ' CB ' ' A' ' 67' ' ' ARG . 74.3 mt -77.71 -63.1 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.552 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 1.7 t70 -89.2 176.3 7.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -90.66 126.43 56.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.599 0.714 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 109.93 2.42 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.531 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 30.0 m-20 -127.56 101.98 23.6 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.58 0.705 . . . . 0.0 110.857 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.597 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.3 Cg_exo -47.92 -43.49 29.65 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 63.9 Cg_exo -47.93 -49.14 14.43 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.458 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 88.6 m -60.53 -47.41 86.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.572 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 14.5 m0 -61.75 -54.2 45.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.567 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 24.4 ttmt -57.33 -55.9 28.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.9 m -57.38 -48.41 79.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 77' ' ' THR . 2.4 mmp_? -50.75 -56.49 11.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.566 HD11 ' CD1' ' A' ' 59' ' ' TRP . 38.7 tp -63.63 -41.3 98.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -52.26 -49.8 63.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.82 -44.01 97.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.51 -51.69 68.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.1 tp -45.03 -40.76 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -77.55 -46.53 22.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -53.22 -42.9 66.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.5 p -54.63 111.11 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.4 ' C ' ' H ' ' A' ' 92' ' ' PHE . 3.9 m-80 -74.94 -30.14 61.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.1 m-20 -75.61 10.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.4 ' H ' ' C ' ' A' ' 90' ' ' ASN . 5.7 m-85 -124.94 133.83 52.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.468 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.5 tt0 -110.38 136.57 49.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.535 ' HA ' ' CD2' ' A' ' 110' ' ' TYR . 0.8 OUTLIER -88.0 112.14 22.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 29.6 mt -96.57 102.04 13.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.472 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.0 OUTLIER -89.01 -34.25 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -51.08 -40.92 59.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -89.89 -14.3 34.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.472 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 21.7 p -61.38 129.94 43.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 10.6 mm-40 -122.1 102.0 7.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.1 mt -118.02 10.47 13.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -112.11 5.06 18.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.465 ' O ' ' C ' ' A' ' 104' ' ' SER . 0.2 OUTLIER -105.02 168.0 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 103' ' ' ILE . 29.9 m -32.03 -59.39 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -111.68 105.46 56.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.448 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.4 Cg_endo -69.73 149.35 66.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.279 . . . . 0.0 112.314 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.557 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 44.8 p90 -167.45 153.78 7.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -112.2 126.58 55.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.5 t -89.07 148.47 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.535 ' CD2' ' HA ' ' A' ' 94' ' ' GLU . 8.7 m-85 -140.57 170.64 15.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -135.16 124.62 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 79.3 mt -71.11 104.0 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 91' ' ' ASP . 5.0 t -80.06 122.68 83.34 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -174.94 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.272 . . . . 0.0 112.355 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -106.53 175.07 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.2 t -152.15 116.74 5.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -93.88 153.38 21.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 5.36 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 21.8 m -65.3 -59.08 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.7 m -116.16 123.74 48.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 m -82.7 177.68 8.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 0.0 110.867 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -68.12 173.47 4.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.06 55.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 t -64.36 -51.48 63.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.844 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 m 53.91 42.63 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.22 109.81 0.67 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.33 -49.36 7.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 10' ' ' ARG . 8.4 tp -75.23 -42.74 54.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 9' ' ' LEU . 3.3 tmt_? -35.8 -66.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' TRP . 2.2 tp60 -71.86 -53.77 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.424 ' C ' ' O ' ' A' ' 11' ' ' GLN . 91.5 t90 -36.58 -61.52 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 16' ' ' GLN . 39.5 tp -52.96 -60.74 2.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.3 mt -42.08 -42.82 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.44 -38.63 81.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.466 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 40.7 mm-40 -68.8 -43.31 75.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.421 HG22 ' CE2' ' A' ' 27' ' ' TRP . 20.1 mt -66.01 -51.66 57.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -52.44 -47.52 66.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.1 p -62.43 -34.57 77.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.9 27.57 71.44 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -72.39 -37.88 68.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.496 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 2.7 m-85 -87.57 141.81 32.43 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.725 0.774 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 147.16 62.44 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.689 2.259 . . . . 0.0 112.299 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.13 -38.49 2.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.3 tp -69.87 108.06 3.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 110.945 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.5 m -156.41 149.73 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.61 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 89.5 m95 -77.83 121.16 23.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -63.88 -26.21 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.428 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 33.4 p30 -124.44 168.07 13.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.13 -30.07 49.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.428 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.2 pt-20 -57.35 -13.58 3.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.61 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 2.2 mmmm 63.01 35.21 13.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.1 m -106.19 -37.39 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.409 HD13 ' ND2' ' A' ' 29' ' ' ASN . 19.7 mt -111.58 140.6 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.153 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -145.43 166.72 24.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.523 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 0.9 OUTLIER -121.47 134.12 55.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.464 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 7.7 tt -115.32 136.13 22.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 54.1 Cg_endo -69.76 113.16 3.28 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.38 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -94.13 16.68 14.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' CE ' ' HD2' ' A' ' 106' ' ' PRO . 16.4 ttmt -56.61 108.31 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.636 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 18.4 p-80 -81.43 -60.17 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.636 ' N ' ' CG ' ' A' ' 41' ' ' HIS . . . -160.14 101.96 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.13 -59.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.482 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.532 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 13.4 mmtm -60.5 170.95 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.702 0.286 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -141.79 144.92 34.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t0 52.53 32.0 10.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.532 ' CD1' ' HB3' ' A' ' 44' ' ' LYS . 19.5 p90 -105.11 171.9 7.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -73.06 102.45 3.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.5 ttp180 -84.79 -41.56 16.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -42.81 -51.51 5.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' O ' ' HB1' ' A' ' 54' ' ' ALA . 2.2 tp10 -54.44 -55.34 29.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -56.75 -18.58 13.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.31 -29.11 13.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 51' ' ' GLU . . . -38.62 -42.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.496 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 29.2 tp -71.89 -60.66 2.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -51.0 -59.26 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -52.07 -58.68 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -38.11 -43.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.409 ' CH2' ' HD3' ' A' ' 63' ' ' LYS . 31.0 t-105 -55.68 -55.91 26.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.82 -61.6 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.7 mt -46.8 -36.88 7.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -70.74 -57.43 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 2.3 mmmp? -49.8 -59.21 4.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -125.07 -143.25 6.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.06 105.97 8.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -117.23 131.26 56.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -90.44 104.16 16.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.516 ' HA ' ' CE1' ' A' ' 66' ' ' PHE . 3.6 pm0 -70.0 -32.56 70.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.37 -37.28 15.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.9 mt -86.03 -58.8 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 111.154 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -83.04 129.81 35.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -59.31 120.7 50.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.628 0.728 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 136.72 33.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.62 2.214 . . . . 0.0 112.368 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.52 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 20.1 m-20 -135.81 102.08 10.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.58 0.705 . . . . 0.0 110.823 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.596 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 66.0 Cg_exo -48.03 -43.41 30.49 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.334 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.0 Cg_exo -47.93 -27.46 8.73 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.659 2.239 . . . . 0.0 112.373 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.8 m -81.71 -47.09 13.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.484 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 6.2 m0 -63.58 -51.1 66.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -56.13 -53.86 52.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.477 ' HA ' ' CD ' ' A' ' 83' ' ' ARG . 62.2 m -59.99 -38.45 82.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -60.91 -61.59 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.8 tp -56.5 -62.42 1.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.477 ' CD ' ' HA ' ' A' ' 80' ' ' THR . 8.9 ptm180 -39.3 -41.7 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 9.7 m -61.87 -53.6 53.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.15 -38.57 83.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.7 tp -56.2 -40.85 74.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -81.7 -47.34 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -51.66 -42.9 62.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.4 p -52.11 104.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -63.68 -27.91 69.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.33 11.41 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -125.7 140.26 52.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.461 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 3.1 tt0 -116.74 141.63 47.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.537 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 2.4 tt0 -96.9 115.52 27.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.1 mt -98.9 101.95 13.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.403 ' HA ' ' HB2' ' A' ' 99' ' ' SER . 0.1 OUTLIER -86.55 -42.62 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.849 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -43.64 -35.96 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -93.34 -22.73 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.403 ' HB2' ' HA ' ' A' ' 96' ' ' VAL . 4.5 m -54.39 131.47 42.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.44 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 23.0 mm-40 -125.39 109.33 12.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.4 mt -115.06 -13.78 11.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -88.97 13.58 12.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.45 ' O ' ' C ' ' A' ' 104' ' ' SER . 49.7 pt -109.84 156.35 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 103' ' ' ILE . 46.4 t -33.69 -51.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -114.42 101.97 54.53 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.618 0.723 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 54.2 Cg_endo -69.69 148.44 65.52 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.361 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.523 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 30.5 p90 -164.94 152.15 11.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -111.28 133.23 53.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 52.9 t -97.51 135.41 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.537 ' CE2' ' HB2' ' A' ' 94' ' ' GLU . 12.6 m-85 -131.02 152.99 49.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -116.25 127.81 55.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 92.9 mt -73.18 102.8 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 4.7 t -79.71 127.34 78.14 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.635 0.731 . . . . 0.0 111.129 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -178.1 2.19 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -91.41 162.95 14.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 66.7 p 52.0 40.23 27.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -69.37 165.26 49.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 5.03 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.343 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.6 t -64.02 122.43 16.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 87.8 p -77.58 -50.19 13.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.456 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -136.77 123.14 20.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.933 0.396 . . . . 0.0 110.877 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.0 t -142.12 130.15 21.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.36 114.55 1.22 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 6' ' ' SER . 82.7 p -81.73 136.37 35.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.874 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 5' ' ' SER . 72.1 p -35.02 -46.75 0.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.92 143.96 3.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.438 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.475 ' O ' ' C ' ' A' ' 9' ' ' LEU . 17.2 tptm -143.86 156.94 44.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 8' ' ' LYS . 17.9 tp -32.14 -48.36 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.928 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.414 ' O ' ' CD1' ' A' ' 14' ' ' ILE . 19.2 tpt85 -37.85 -68.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -79.83 -44.77 19.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.419 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 88.8 t90 -41.42 -65.69 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 16' ' ' GLN . 52.2 tp -54.68 -61.88 2.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 10' ' ' ARG . 92.5 mt -40.71 -40.34 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -64.34 -39.46 93.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 13' ' ' LEU . 45.9 mm-40 -63.89 -36.68 84.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.57 HD11 ' CZ2' ' A' ' 27' ' ' TRP . 7.2 mt -68.94 -49.72 60.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -53.03 -56.28 17.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.401 ' HB2' ' CG ' ' A' ' 21' ' ' LYS . 11.8 p -52.46 -33.05 42.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.65 30.58 77.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.544 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' CG ' ' HB2' ' A' ' 19' ' ' SER . 12.3 mttm -75.04 -39.46 60.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.547 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 2.7 m-85 -90.71 140.95 26.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.714 0.768 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 150.26 67.96 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.634 2.223 . . . . 0.0 112.353 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.17 -32.41 3.03 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.567 HD11 ' CE1' ' A' ' 35' ' ' PHE . 13.2 tp -77.77 104.56 8.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.9 m -155.13 145.72 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.601 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 85.4 m95 -77.51 124.84 28.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -68.81 -26.61 65.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.423 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 36.5 p30 -123.16 170.79 9.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.42 -31.79 42.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.423 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.0 pt-20 -56.29 -13.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.601 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 2.2 mmmp? 62.94 32.01 15.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.0 m -105.85 -37.57 6.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.8 mt -106.73 131.01 57.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CE1' HD11 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -144.18 163.82 32.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -114.64 132.74 56.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.487 ' HB ' ' CE1' ' A' ' 35' ' ' PHE . 14.3 tt -113.28 133.25 22.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.662 0.744 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 111.09 2.71 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.748 2.299 . . . . 0.0 112.309 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.457 ' CD2' ' HD2' ' A' ' 108' ' ' LYS . 3.2 t-105 -104.48 101.95 11.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.946 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.463 ' CG ' ' HG2' ' A' ' 106' ' ' PRO . 7.2 mtpm? -145.31 108.01 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.47 ' N ' ' ND1' ' A' ' 41' ' ' HIS . 0.0 OUTLIER -54.09 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' GLY . . . -117.41 -31.73 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . 35.31 -130.12 0.69 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.23 166.85 20.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.746 0.308 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -113.39 -37.95 4.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -60.16 -30.71 69.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -59.58 153.56 19.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.804 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -54.3 119.68 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.55 -44.51 11.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.43 -48.93 68.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.26 -49.7 76.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.02 -43.92 81.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.76 17.75 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.6 -45.28 46.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.547 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 9.5 tp -59.01 -49.0 79.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CD1' HD23 ' A' ' 82' ' ' LEU . 95.1 m-85 -61.31 -59.57 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.567 ' HD3' ' CH2' ' A' ' 78' ' ' TRP . 18.3 tptm -40.3 -54.32 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -44.49 -54.49 5.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.56 ' CZ2' ' HG3' ' A' ' 63' ' ' LYS . 64.6 t-105 -53.06 -54.29 37.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.447 ' CB ' ' CD1' ' A' ' 78' ' ' TRP . . . -42.22 -44.08 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 66' ' ' PHE . 7.9 mt -76.42 -39.42 53.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.407 ' CD2' ' CZ3' ' A' ' 59' ' ' TRP . 58.7 t80 -52.52 -53.43 46.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.56 ' HG3' ' CZ2' ' A' ' 59' ' ' TRP . 5.3 mmmm -97.65 -58.31 2.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.36 -38.13 61.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 65.61 38.74 5.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.787 0.327 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.495 ' O ' ' CD2' ' A' ' 61' ' ' LEU . 1.7 t80 -59.3 149.24 29.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -103.83 113.75 27.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 7.9 tt0 -65.0 108.5 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.05 -51.09 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.1 mt -68.28 -50.86 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 0.0 111.093 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 3.9 m-20 -100.24 164.53 11.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -91.09 123.4 64.62 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.558 0.694 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 125.32 12.02 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.53 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 1.2 p30 -131.71 102.03 15.28 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.602 0.715 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.584 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.9 Cg_exo -48.04 -43.22 31.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.364 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.0 Cg_exo -48.02 -38.41 31.7 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.695 2.264 . . . . 0.0 112.35 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.484 HG23 ' NE ' ' A' ' 81' ' ' ARG . 2.2 m -74.62 -48.21 27.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.583 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 12.5 m0 -53.4 -44.05 68.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -63.34 -43.88 96.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.931 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.5 m -65.48 -54.97 20.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.156 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.484 ' NE ' HG23 ' A' ' 77' ' ' THR . 2.4 mpt_? -51.49 -17.98 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.569 HD23 ' CD1' ' A' ' 56' ' ' PHE . 21.8 tp -94.81 -43.06 8.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.428 ' HG2' ' CH2' ' A' ' 39' ' ' TRP . 49.5 mtt180 -66.69 -40.74 88.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 81' ' ' ARG . 7.4 p -48.59 -52.61 22.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.35 -48.75 63.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.1 tp -42.91 -37.9 2.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -79.43 -45.8 18.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -51.24 -35.9 39.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.4 m -52.24 114.46 1.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -86.51 -28.35 23.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 113' ' ' VAL . 24.7 m-20 -78.02 10.0 3.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -106.33 140.2 39.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.417 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.7 tt0 -109.83 149.4 29.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -96.77 110.45 22.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 97' ' ' GLU . 14.3 mt -96.58 18.0 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.0 p -33.09 -33.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 95' ' ' LEU . 73.1 mt-10 -46.8 -44.41 19.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -90.16 -22.83 21.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.2 p -52.1 144.92 11.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.448 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 9.0 mm-40 -128.2 107.87 10.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.6 mt -115.93 15.38 16.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -118.03 17.52 14.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.421 ' CD1' ' H ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -117.09 172.1 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.7 m -39.62 -59.49 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -111.53 102.8 54.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.463 ' HG2' ' CG ' ' A' ' 40' ' ' LYS . 53.7 Cg_endo -69.82 150.82 68.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.651 2.234 . . . . 0.0 112.375 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 49.9 p90 -161.87 150.47 15.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.457 ' HD2' ' CD2' ' A' ' 39' ' ' TRP . 40.5 mttm -112.35 122.31 47.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 95' ' ' LEU . 57.3 t -87.37 132.2 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -132.41 151.3 51.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -120.82 118.74 30.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 88.2 mt -70.51 102.09 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 91' ' ' ASP . 2.9 t -76.3 127.56 84.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 0.0 111.12 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -177.09 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -70.07 150.63 46.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 80.7 p -76.75 176.9 8.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.424 ' C ' ' H ' ' A' ' 119' ' ' SER . . . -141.72 176.64 21.81 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 8.29 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.361 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 117' ' ' GLY . 47.5 m -117.18 120.53 38.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.3 m -120.22 121.31 38.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -57.99 -61.05 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.908 0.385 . . . . 0.0 110.87 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -151.64 107.8 3.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.5 178.99 46.1 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -96.42 174.63 6.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.87 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 t -82.87 155.51 24.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.28 101.68 2.59 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -146.22 132.35 19.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.813 0.34 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.508 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 5.0 tp -73.07 -47.18 46.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -39.37 -64.12 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' TRP . 10.0 tp60 -66.27 -54.58 23.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 69.9 t90 -37.83 -62.7 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.437 ' N ' ' CE3' ' A' ' 12' ' ' TRP . 48.3 tp -54.13 -63.34 1.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.9 mt -41.15 -40.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -64.7 -39.85 94.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 13' ' ' LEU . 50.3 mm-40 -62.71 -42.09 99.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.557 HG21 ' CD1' ' A' ' 27' ' ' TRP . 16.4 mt -63.24 -48.24 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -53.73 -56.23 19.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 p -52.75 -33.94 50.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.96 28.58 70.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -71.87 -38.28 70.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -86.51 140.04 33.8 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.668 0.747 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 136.63 33.48 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.56 -36.87 3.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 tp -72.97 105.11 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.4 m -153.59 147.05 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.638 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 87.6 m95 -78.2 122.41 25.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -65.68 -26.78 67.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.462 ' ND2' ' CG ' ' A' ' 31' ' ' GLU . 24.9 p30 -123.12 178.19 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -85.92 -30.75 22.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.462 ' CG ' ' ND2' ' A' ' 29' ' ' ASN . 7.7 pt-20 -55.44 -16.98 4.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.638 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 4.1 mmmm 64.56 36.88 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.442 ' HG ' ' N ' ' A' ' 34' ' ' ILE . 51.4 p -111.0 -33.84 6.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.442 ' N ' ' HG ' ' A' ' 33' ' ' SER . 18.1 mt -110.43 139.03 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.519 ' CG ' HD12 ' A' ' 17' ' ' ILE . 9.9 p90 -150.63 172.66 15.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -124.36 136.63 54.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.418 HG13 ' HD2' ' A' ' 38' ' ' PRO . 10.0 tt -113.58 132.55 22.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.639 0.733 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.418 ' HD2' HG13 ' A' ' 37' ' ' ILE . 54.0 Cg_endo -69.81 115.9 4.32 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.401 ' O ' ' HB2' ' A' ' 106' ' ' PRO . 1.4 t-105 -117.67 101.98 8.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HD2' ' CG ' ' A' ' 106' ' ' PRO . 7.8 tptp -111.95 136.84 50.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -96.89 168.47 10.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.62 108.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -172.03 -90.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.559 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 28.0 mttt -70.7 125.68 27.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.704 0.288 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.459 ' HG3' ' CZ ' ' A' ' 49' ' ' ARG . 14.9 tt0 -92.94 -45.55 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' GLN . 33.3 t0 -37.54 -37.64 0.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.559 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 0.5 OUTLIER -56.98 144.38 34.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.845 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -56.08 121.64 9.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.459 ' CZ ' ' HG3' ' A' ' 45' ' ' GLN . 43.8 mtt180 -97.29 -45.28 6.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -69.83 -45.27 68.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -55.17 -44.9 75.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -40.5 82.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . -69.32 -31.98 70.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -34.5 -54.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.8 tp -57.71 -64.71 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -45.22 -58.37 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.573 ' HD2' ' CH2' ' A' ' 78' ' ' TRP . 72.9 tttt -48.48 -52.51 21.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.43 -48.58 13.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.571 ' CH2' ' HD3' ' A' ' 63' ' ' LYS . 28.9 t-105 -53.16 -61.03 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -42.53 -57.49 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.091 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 62' ' ' PHE . 11.0 mt -57.68 -55.63 32.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 61' ' ' LEU . 84.9 t80 -32.25 -56.48 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.571 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 8.8 mmmm -67.44 -43.13 81.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 116.54 48.51 0.46 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -110.02 -30.95 7.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.508 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 56.4 t80 -105.89 152.3 23.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -127.84 102.16 6.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -65.23 117.16 7.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.59 -40.73 2.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.54 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.6 mt -90.83 -51.42 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -98.82 127.48 44.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.24 132.59 60.91 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.603 0.716 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.508 ' HA ' ' CE1' ' A' ' 66' ' ' PHE . 53.7 Cg_endo -69.78 132.23 22.87 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.356 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.529 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 1.2 m-20 -141.47 103.07 5.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.611 0.72 . . . . 0.0 110.868 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.587 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.3 Cg_exo -48.06 -43.33 30.88 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.658 2.238 . . . . 0.0 112.34 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.0 Cg_exo -48.01 -56.63 2.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.26 . . . . 0.0 112.356 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.6 m -53.65 -45.88 70.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.573 ' CH2' ' HD2' ' A' ' 57' ' ' LYS . 21.1 m0 -62.04 -56.29 20.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -52.35 -61.03 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.8 m -49.58 -50.02 44.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -47.8 -64.84 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.558 HD13 ' CD1' ' A' ' 59' ' ' TRP . 20.9 tp -55.48 -54.35 44.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -40.44 -44.57 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.86 -48.5 71.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' LEU . . . -55.38 -62.33 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' ALA . 23.2 tp -34.1 -52.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -65.58 -47.61 75.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -51.73 -39.04 57.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.5 t -52.26 116.39 2.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -85.97 -31.21 22.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -76.02 7.26 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -114.13 139.47 49.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 0.7 OUTLIER -112.03 150.98 29.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.494 ' HG3' ' CZ ' ' A' ' 110' ' ' TYR . 4.1 tt0 -94.39 126.46 39.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 97' ' ' GLU . 66.8 mt -105.97 20.72 18.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.547 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.1 OUTLIER -31.98 -35.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 95' ' ' LEU . 17.5 mt-10 -47.22 -45.17 23.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -89.33 -17.87 28.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.547 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 33.7 p -52.05 147.79 6.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.532 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 37.7 mm-40 -135.85 102.1 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.0 mt -113.99 11.07 17.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -116.67 18.04 15.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.532 ' CD1' ' O ' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -117.27 172.83 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 103' ' ' ILE . 5.3 m -34.92 -60.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -113.89 107.9 51.81 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.584 0.706 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.467 ' CG ' ' HD2' ' A' ' 40' ' ' LYS . 53.6 Cg_endo -69.79 149.76 67.1 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 100' ' ' GLN . 49.0 p90 -168.3 154.29 7.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.978 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -116.35 126.0 52.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 110' ' ' TYR . 42.5 t -90.48 143.45 11.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.494 ' CZ ' ' HG3' ' A' ' 94' ' ' GLU . 11.7 m-85 -137.32 158.95 43.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -124.56 122.22 36.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.9 mt -74.39 105.88 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 3.5 t -77.75 123.42 86.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.64 0.733 . . . . 0.0 111.134 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -174.38 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.741 2.294 . . . . 0.0 112.359 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -85.12 -49.85 7.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.9 p -83.85 153.86 23.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 159.06 -165.53 34.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.447 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -179.68 3.07 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.721 2.281 . . . . 0.0 112.345 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t -92.53 159.14 15.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.824 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.8 t -97.27 -48.56 5.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.435 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 1' ' ' GLY . 58.3 m -37.69 -53.92 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.353 . . . . 0.0 110.793 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -82.17 -60.5 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.61 119.54 0.79 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 t -92.4 -44.31 8.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 0.0 110.888 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -70.85 170.29 12.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.5 -43.08 1.73 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.27 -50.48 50.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.822 0.344 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.568 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 4.8 tp -40.18 -39.79 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.7 tpt85 -42.87 -66.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -76.88 -46.54 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.8 t90 -40.62 -67.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.581 HD22 ' CZ ' ' A' ' 35' ' ' PHE . 24.3 tp -51.35 -62.39 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 93.2 mt -35.8 -48.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -49.37 -50.27 40.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.48 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 10.7 mm-40 -61.21 -55.47 31.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.65 ' CG2' ' CE2' ' A' ' 27' ' ' TRP . 20.0 mt -47.79 -41.45 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.505 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 4.7 t0 -72.02 -66.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.437 ' HB2' ' CG ' ' A' ' 21' ' ' LYS . 9.1 p -42.77 -28.13 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.17 32.41 60.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 19' ' ' SER . 25.8 mtmt -73.35 -36.82 66.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.576 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 14.9 m-85 -86.32 139.61 34.12 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.688 0.756 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.52 50.98 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.88 -48.52 3.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.457 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.542 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -66.91 121.83 16.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.542 ' CG1' ' O ' ' A' ' 25' ' ' LEU . 33.5 m -162.72 169.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.655 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 96.9 m95 -92.63 122.04 34.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' ILE . 8.0 mt-10 -59.98 -29.73 68.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.484 ' ND2' HD11 ' A' ' 34' ' ' ILE . 33.9 p30 -125.34 175.95 7.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -82.14 -31.97 30.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.427 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 11.7 pt-20 -61.19 -14.06 22.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.655 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 18.9 mmtm 65.08 35.79 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.2 t -100.04 -41.42 7.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.484 HD11 ' ND2' ' A' ' 29' ' ' ASN . 3.9 mp -114.0 109.96 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.62 ' HB3' ' CE3' ' A' ' 27' ' ' TRP . 20.8 p90 -117.32 162.07 18.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.411 ' HB2' ' CD2' ' A' ' 107' ' ' TYR . 1.0 OUTLIER -123.97 129.09 50.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.47 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 11.6 tt -111.82 135.9 21.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.637 0.732 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.2 Cg_endo -69.75 115.83 4.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.425 ' O ' ' HG2' ' A' ' 106' ' ' PRO . 3.4 t-105 -110.69 101.98 10.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -156.99 163.22 39.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -136.09 102.23 4.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.02 -67.48 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.63 -43.04 1.79 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -64.18 161.81 15.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.414 ' HG3' ' NH2' ' A' ' 49' ' ' ARG . 12.5 mp0 -117.56 -33.8 4.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -59.0 -23.32 61.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.487 ' CE1' ' HG2' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -80.8 175.73 10.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.838 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -71.23 109.72 5.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.487 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 11.8 mmt85 -88.55 -44.72 10.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' ALA . 4.7 pt-20 -52.38 -39.33 60.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.44 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -66.44 -58.24 5.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -55.92 -38.53 70.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.63 17.99 23.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -57.69 -37.97 74.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.576 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 5.4 tp -73.96 -50.24 20.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.41 ' C ' ' HB3' ' A' ' 78' ' ' TRP . 62.8 m-85 -59.35 -50.05 75.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.487 ' HD2' ' CH2' ' A' ' 78' ' ' TRP . 65.1 tttt -53.15 -51.04 63.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -43.68 -39.99 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 9' ' ' LEU . 44.5 t-105 -53.47 -63.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.54 -66.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.09 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.1 mt -43.48 -41.06 4.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.484 ' CD2' ' N ' ' A' ' 63' ' ' LYS . 5.9 t80 -66.45 -67.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.544 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 12.8 mmmm -35.53 -63.81 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -118.7 -139.6 6.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -130.73 105.04 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.343 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -117.09 153.97 31.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.402 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -119.11 134.56 55.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -90.89 -28.33 18.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.28 -39.73 10.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 17.7 mt -84.23 -62.25 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 111.153 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.64 148.65 30.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.815 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -77.18 122.04 85.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.559 0.695 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 136.97 34.14 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.534 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 5.7 m-20 -139.46 102.12 7.31 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.582 0.706 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.599 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.4 Cg_exo -47.93 -43.4 29.96 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.374 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.3 Cg_exo -47.99 -31.71 16.48 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.32 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.3 m -76.67 -48.52 18.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.158 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.53 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 9.2 m0 -61.68 -47.37 85.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -57.8 -56.06 26.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.0 m -59.87 -57.46 12.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.0 mmt-85 -39.5 -64.6 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 83' ' ' ARG . 61.5 tp -60.78 -63.97 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 82' ' ' LEU . 29.6 ttt180 -35.09 -62.18 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.6 t -38.56 -62.17 0.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 87' ' ' ASN . . . -48.33 -62.09 1.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 85' ' ' ALA . 28.9 tp -33.48 -34.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.5 OUTLIER -81.4 -56.69 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -50.53 -45.98 57.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.2 m -52.07 115.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' PHE . 33.8 m120 -82.17 -37.88 25.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.8 p30 -38.42 -29.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 90' ' ' ASN . 17.4 m-30 -101.49 153.53 19.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -112.76 150.54 31.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -83.06 108.77 16.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 97' ' ' GLU . 23.8 mt -97.22 17.98 16.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 97' ' ' GLU . 10.0 p -35.72 -28.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 95' ' ' LEU . 48.8 mt-10 -48.28 -43.8 33.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -91.77 -18.74 23.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.2 m -52.52 131.38 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 14.6 mm-40 -123.53 105.01 9.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.3 mt -106.15 -11.27 16.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -92.15 17.98 8.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 104' ' ' SER . 33.3 pt -113.28 161.5 12.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 103' ' ' ILE . 8.1 t -37.08 -53.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -114.77 102.0 54.65 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.65 0.738 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.425 ' HG2' ' O ' ' A' ' 39' ' ' TRP . 54.0 Cg_endo -69.7 148.06 64.63 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.373 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.434 ' HA ' ' O ' ' A' ' 37' ' ' ILE . 47.9 p90 -161.98 148.05 13.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.961 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -109.77 123.65 49.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.5 146.59 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -144.33 148.43 34.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -114.07 122.91 48.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 79.0 mt -71.17 102.04 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 91' ' ' ASP . 2.5 t -72.3 121.83 85.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.7 . . . . 0.0 111.149 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -175.32 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 116' ' ' SER . 8.2 pt-20 -63.87 -42.81 97.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 5.7 t -127.16 103.62 7.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -55.19 167.21 2.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 94.86 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.726 2.284 . . . . 0.0 112.328 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 63.7 p -162.3 155.88 20.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 92.2 p -66.17 169.12 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -67.06 162.9 21.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -101.72 144.72 30.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.56 -46.79 1.26 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.519 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 m 62.61 42.64 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -135.19 128.45 32.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.26 126.78 2.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.441 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 12' ' ' TRP . 18.6 tptt -133.77 106.74 7.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 tp -84.96 -48.7 9.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.3 ttt-85 -45.15 -67.04 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' TRP . 3.9 tp60 -60.8 -62.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.555 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 81.7 t90 -36.23 -56.8 0.75 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.2 tp -57.3 -57.17 13.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.6 mt -47.26 -41.35 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -61.35 -36.73 81.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -66.74 -41.3 88.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.578 HD13 ' CD2' ' A' ' 35' ' ' PHE . 9.5 mt -68.66 -49.17 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -51.46 -47.21 63.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.4 p -59.61 -34.61 72.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.827 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.29 26.41 70.55 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.442 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -71.73 -39.73 69.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.437 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 2.9 m-85 -88.99 142.26 30.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.718 0.771 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 153.35 68.95 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.346 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.71 -39.73 2.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.9 tp -69.84 104.67 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.8 m -153.32 149.65 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.614 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 96.8 m95 -77.35 119.36 20.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -59.41 -28.07 66.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.476 ' ND2' HD11 ' A' ' 34' ' ' ILE . 30.9 p30 -122.45 178.03 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -87.45 -27.94 22.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 8.9 pt-20 -62.22 -13.04 23.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.614 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 4.3 mmmm 64.19 38.06 8.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.8 m -104.79 -38.01 6.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.476 HD11 ' ND2' ' A' ' 29' ' ' ASN . 4.4 mp -114.92 142.19 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CD2' HD13 ' A' ' 17' ' ' ILE . 15.6 p90 -147.44 173.61 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -129.42 135.48 48.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.444 HG23 ' O ' ' A' ' 37' ' ' ILE . 12.3 tt -115.87 134.17 22.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.727 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.421 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.9 Cg_endo -69.7 110.35 2.52 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.721 2.281 . . . . 0.0 112.314 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -92.17 18.03 8.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.501 ' CD ' ' HD2' ' A' ' 106' ' ' PRO . 7.0 mmtt -51.97 120.72 5.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.612 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 10.6 p-80 -84.88 -52.61 5.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.612 ' N ' ' CG ' ' A' ' 41' ' ' HIS . . . -170.69 177.94 3.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 156.14 -48.77 0.47 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.457 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 47' ' ' TYR . 17.7 mmmt -79.62 162.06 25.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.322 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -117.99 -37.65 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -95.35 11.32 33.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.465 ' HB3' ' CB ' ' A' ' 44' ' ' LYS . 22.5 p90 -72.78 173.56 8.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -110.86 108.27 18.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' GLU . 26.9 mtt85 -56.55 -54.87 40.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' ARG . 28.7 tt0 -37.13 -42.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -69.33 -49.56 54.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.85 -39.28 77.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.8 17.99 22.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.23 97.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.437 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 13.9 tp -71.31 -50.3 33.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.555 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 97.1 m-85 -54.99 -42.55 72.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.54 ' HD3' ' CZ2' ' A' ' 78' ' ' TRP . 2.3 mmmp? -51.31 -64.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 62' ' ' PHE . . . -43.31 -36.55 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.555 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 72.9 t-105 -69.26 -48.21 62.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.69 99.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.4 mt -73.92 -39.86 63.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.411 ' CB ' ' O ' ' A' ' 58' ' ' ALA . 44.2 t80 -66.54 -56.23 11.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.513 ' HG3' ' CZ2' ' A' ' 59' ' ' TRP . 15.0 mmmt -68.11 -62.32 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.15 -152.63 24.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.484 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -141.51 110.57 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.537 ' CZ ' ' O ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -138.77 158.91 43.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.537 ' O ' ' CZ ' ' A' ' 66' ' ' PHE . 0.5 OUTLIER -122.62 136.18 54.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -87.18 137.47 32.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.55 -40.45 3.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 27.4 mt -76.04 -52.84 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 111.158 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -100.87 158.76 15.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.76 119.01 75.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.541 0.686 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 126.23 13.06 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.615 2.21 . . . . 0.0 112.395 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.535 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 4.9 p30 -124.73 101.99 32.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.631 0.729 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.585 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.8 Cg_exo -47.98 -43.35 30.37 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 64.5 Cg_exo -47.94 -47.42 19.04 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.1 m -59.41 -47.62 84.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.54 ' CZ2' ' HD3' ' A' ' 57' ' ' LYS . 10.0 m0 -64.18 -58.24 7.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.555 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 28.0 tttm -49.08 -46.18 44.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.1 m -65.23 -58.15 6.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 21.2 mmt-85 -40.35 -52.09 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.508 HD12 ' CE2' ' A' ' 59' ' ' TRP . 27.1 tp -72.6 -50.18 27.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 83' ' ' ARG . 15.8 ttt180 -44.88 -43.83 9.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.1 t -63.58 -46.53 85.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.54 -44.09 89.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.4 tp -53.24 -38.49 63.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -81.58 -45.02 16.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -55.79 -39.42 71.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.2 p -52.01 118.0 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -80.3 -26.69 38.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 113' ' ' VAL . 0.3 OUTLIER -81.29 16.12 1.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -121.93 139.31 53.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -109.87 149.23 30.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -91.14 111.75 23.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 97' ' ' GLU . 15.9 mt -101.64 17.98 21.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 95' ' ' LEU . 6.9 p -34.47 -32.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 95' ' ' LEU . 30.8 mt-10 -49.61 -43.55 46.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -86.49 -25.26 25.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 p -51.95 131.41 31.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 7.8 mm-40 -118.66 103.28 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.5 mt -104.22 -11.34 17.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -90.94 13.19 17.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 104' ' ' SER . 46.4 pt -109.52 161.06 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 103' ' ' ILE . 2.8 m -36.41 -56.0 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -111.35 101.97 51.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.501 ' HD2' ' CD ' ' A' ' 40' ' ' LYS . 54.0 Cg_endo -69.75 145.87 58.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -159.36 147.03 17.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -107.46 128.95 54.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.437 HG12 ' CD1' ' A' ' 95' ' ' LEU . 31.3 t -98.0 141.34 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -142.6 148.05 36.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -112.43 124.62 52.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.8 mt -71.85 102.25 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 91' ' ' ASP . 3.4 t -77.7 122.74 86.18 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.555 0.693 . . . . 0.0 111.159 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -172.15 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -98.86 163.01 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 24.5 p -75.7 158.85 31.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 145.93 170.01 14.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 95.26 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.613 2.208 . . . . 0.0 112.359 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 81.6 p -79.37 -31.58 42.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.4 t -137.69 130.22 29.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -72.03 166.02 23.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -56.54 -57.74 11.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.19 77.24 0.41 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 t -76.08 -56.65 4.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 110.91 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 t -69.37 128.13 35.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.87 103.72 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.11 110.0 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.9 tp -91.63 -46.11 8.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -39.88 -65.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -64.39 -52.74 56.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.459 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 88.6 t90 -39.99 -63.22 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 16' ' ' GLN . 47.5 tp -53.62 -62.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.3 mt -40.74 -40.73 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.75 -38.9 89.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 13' ' ' LEU . 56.7 mm-40 -65.18 -38.59 90.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.571 HD13 ' CZ2' ' A' ' 27' ' ' TRP . 11.0 mt -66.96 -49.55 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -52.71 -51.54 59.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 p -56.13 -36.42 68.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.86 28.12 73.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -71.18 -40.74 71.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -89.22 143.18 30.63 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.681 0.753 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 152.75 69.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.634 2.222 . . . . 0.0 112.38 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.5 -42.52 2.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.0 tp -64.48 102.18 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.5 m -149.69 145.6 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.628 ' CD1' ' CD ' ' A' ' 32' ' ' LYS . 97.6 m95 -77.97 117.86 19.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.93 -27.38 65.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.479 ' ND2' HD13 ' A' ' 34' ' ' ILE . 41.4 p30 -123.25 178.01 5.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -85.71 -33.54 21.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 10.4 pt-20 -59.43 -14.08 10.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.628 ' CD ' ' CD1' ' A' ' 27' ' ' TRP . 23.0 mmtm 64.47 35.52 9.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.2 m -97.91 -39.92 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.479 HD13 ' ND2' ' A' ' 29' ' ' ASN . 4.3 mp -115.59 141.96 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.4 ' CD2' HD11 ' A' ' 17' ' ' ILE . 11.1 p90 -146.2 174.53 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.82 136.25 50.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.505 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 5.2 tt -113.98 137.22 22.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.726 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.505 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.9 Cg_endo -69.75 113.49 3.39 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -114.71 102.46 10.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -124.91 123.09 39.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.494 ' CG ' ' H ' ' A' ' 42' ' ' ALA . 18.7 p80 -69.77 -59.64 2.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.494 ' H ' ' CG ' ' A' ' 41' ' ' HIS . . . -169.35 177.86 4.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.49 31.03 0.17 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.546 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 29.9 mmtt -152.16 169.88 21.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -145.06 137.75 26.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 55.11 32.02 17.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.546 ' CD1' ' HB3' ' A' ' 44' ' ' LYS . 13.5 p90 -89.26 166.3 13.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -80.81 102.04 9.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 50' ' ' GLU . 44.8 mtt180 -73.5 -46.47 47.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 49' ' ' ARG . 5.8 pt-20 -34.35 -42.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -69.83 -54.79 11.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -53.0 -38.33 62.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.79 17.97 22.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.84 85.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.3 tp -75.23 -44.94 43.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.521 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 68.9 m-85 -58.81 -54.88 42.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.547 ' HD2' ' CH2' ' A' ' 78' ' ' TRP . 24.1 tttm -45.85 -57.87 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' TRP . . . -44.49 -55.19 5.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.55 ' CZ2' ' HD3' ' A' ' 63' ' ' LYS . 29.3 t-105 -37.4 -59.71 0.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.06 -66.35 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.6 mt -41.64 -46.1 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 63' ' ' LYS . 1.8 t80 -57.67 -57.34 13.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.55 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 10.3 mmmm -43.14 -66.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -121.09 -129.3 3.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -136.72 106.03 6.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.582 ' CZ ' ' O ' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -118.97 158.76 25.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.582 ' O ' ' CZ ' ' A' ' 66' ' ' PHE . 0.5 OUTLIER -117.21 131.88 56.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.65 -29.13 14.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -91.82 -40.69 5.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.503 HD12 ' HG2' ' A' ' 67' ' ' ARG . 77.1 mt -82.4 -56.75 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -83.49 152.57 24.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -77.92 118.81 74.51 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.538 0.685 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 154.19 67.73 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.251 . . . . 0.0 112.314 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.53 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 2.7 p30 -150.49 102.06 3.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.624 0.726 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.594 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.5 Cg_exo -48.04 -43.26 30.93 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.325 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.1 Cg_exo -47.98 -54.64 4.94 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.727 2.285 . . . . 0.0 112.346 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.5 m -57.0 -45.39 83.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.208 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.547 ' CH2' ' HD2' ' A' ' 57' ' ' LYS . 36.3 m0 -60.88 -57.1 14.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.521 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 12.6 ttmm -56.02 -55.71 29.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.0 m -52.71 -55.21 24.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.5 mmt-85 -43.11 -60.93 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.503 HD22 ' CD1' ' A' ' 56' ' ' PHE . 34.7 tp -62.61 -60.0 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -38.93 -44.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.1 t -65.6 -55.42 17.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.22 -43.47 64.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.0 tp -53.79 -42.37 68.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -74.15 -52.01 13.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -51.88 -46.82 64.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 m -53.48 102.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -68.17 -38.9 82.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.52 -18.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -101.54 140.14 36.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 0.6 OUTLIER -112.99 147.71 36.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.509 ' HG3' ' CZ ' ' A' ' 110' ' ' TYR . 4.0 tt0 -88.97 127.4 35.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 97' ' ' GLU . 64.5 mt -105.75 22.89 14.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.462 ' C ' ' O ' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -31.99 -35.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 179.849 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 95' ' ' LEU . 11.9 mt-10 -47.07 -45.45 21.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -90.29 -19.43 24.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.451 ' HB2' ' HA ' ' A' ' 96' ' ' VAL . 14.2 m -52.08 137.79 26.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.489 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 32.7 mm-40 -128.39 104.93 7.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.3 mt -114.55 14.56 17.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -117.98 9.56 12.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.853 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -106.5 172.15 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ILE . 28.0 m -37.1 -57.81 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.408 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 24.8 t70 -114.73 104.94 53.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.9 Cg_endo -69.69 140.64 43.43 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.692 2.262 . . . . 0.0 112.352 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -157.81 147.94 20.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -107.09 127.06 53.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.474 HG11 ' N ' ' A' ' 110' ' ' TYR . 60.6 t -91.69 149.33 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.509 ' CZ ' ' HG3' ' A' ' 94' ' ' GLU . 14.7 m-85 -144.96 152.81 40.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.961 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -119.28 129.41 54.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.6 mt -80.67 102.06 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 2.3 t -73.46 123.88 89.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.636 0.731 . . . . 0.0 111.118 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -175.93 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 116' ' ' SER . 12.4 pt-20 -96.87 -43.58 7.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.455 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 7.5 t 54.13 42.46 31.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -130.88 -171.95 13.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.538 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 145.0 56.0 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.731 2.287 . . . . 0.0 112.326 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.4 m -86.09 140.3 30.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 27.7 t -44.21 -48.39 9.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.457 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.542 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 6.9 tp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.787 0.327 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 9' ' ' LEU . 1.7 tmt_? -35.42 -61.84 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' TRP . 32.3 tp60 -75.6 -56.6 4.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 72.6 t90 -36.81 -61.05 0.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.413 ' N ' ' CE3' ' A' ' 12' ' ' TRP . 33.2 tp -53.09 -56.3 17.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.66 ' HA ' HD12 ' A' ' 17' ' ' ILE . 72.3 mt -46.84 -40.91 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -61.68 -37.27 83.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -65.99 -40.79 91.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 14' ' ' ILE . 7.1 mt -68.99 -50.64 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.518 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 5.2 t0 -56.09 -42.81 77.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.2 p -64.17 -32.74 74.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.799 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.18 28.77 73.94 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.436 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -71.57 -41.87 68.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.534 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 3.5 m-85 -91.47 142.63 27.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.665 0.745 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 154.95 67.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.16 -48.3 3.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.443 HD21 HG13 ' A' ' 17' ' ' ILE . 17.4 tp -63.37 102.05 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.369 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.2 m -141.87 148.45 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.613 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 99.3 m95 -79.4 111.13 15.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -52.18 -29.91 24.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.451 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 39.2 p30 -123.28 177.83 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.47 -30.44 23.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 13.6 pt-20 -60.84 -13.65 16.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.613 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 20.3 mmtm 64.72 33.5 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 m -98.5 -40.43 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -112.57 139.06 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -144.95 174.55 10.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -127.04 137.1 53.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.66 HG22 ' O ' ' A' ' 108' ' ' LYS . 10.2 tt -114.38 130.72 23.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.67 0.748 . . . . 0.0 111.104 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 115.53 4.14 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.841 0.353 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.46 -44.3 68.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.069 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.534 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 22.6 tp -87.36 -45.86 10.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -53.43 -50.45 65.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.786 ' HG3' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -48.39 -51.93 24.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.92 -49.64 70.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.567 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 15.6 t-105 -43.48 -58.83 2.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.34 -67.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.786 HD12 ' HG3' ' A' ' 57' ' ' LYS . 9.4 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.587 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.2 Cg_exo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 121.549 0.562 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.2 Cg_exo -47.97 -49.57 13.6 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.642 2.228 . . . . 0.0 112.3 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 95.4 m -59.04 -46.59 87.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 23.1 m0 -64.38 -58.64 5.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -52.89 -54.37 35.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 84' ' ' CYS . 35.8 m -57.24 -48.34 79.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -56.47 14.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.495 HD13 ' CG ' ' A' ' 59' ' ' TRP . 25.7 tp -66.59 -62.27 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -39.19 -41.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 80' ' ' THR . 3.8 t -69.3 -48.86 60.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.46 -44.57 84.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.7 tp -48.36 -46.64 37.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.38 -44.85 23.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -50.69 -43.69 57.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.9 t -52.58 107.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -68.94 -23.07 64.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.2 p-10 -80.16 12.84 2.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -119.1 138.84 52.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 3.8 tp10 -110.2 150.01 29.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -91.95 110.16 21.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.9 HD12 HG12 ' A' ' 109' ' ' VAL . 34.6 mt -96.27 18.03 14.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.6 p -36.68 -28.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 95' ' ' LEU . 39.2 mt-10 -51.8 -43.92 63.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -91.38 -22.02 20.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.6 p -52.07 140.04 21.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.52 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 9.6 mm-40 -127.21 103.89 7.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.1 mt -111.27 12.34 21.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -117.69 16.75 14.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.687 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -114.57 172.2 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 t -38.87 -59.41 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.562 ' O ' HD11 ' A' ' 103' ' ' ILE . 8.1 t70 -110.56 102.1 50.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.601 0.715 . . . . 0.0 110.913 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 105' ' ' ASP . 53.8 Cg_endo -69.78 149.66 67.07 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.694 2.262 . . . . 0.0 112.329 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -167.7 151.98 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.66 ' O ' HG22 ' A' ' 37' ' ' ILE . 41.0 mttm -111.64 122.77 48.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.9 HG12 HD12 ' A' ' 95' ' ' LEU . 36.3 t -88.98 142.23 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.165 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -142.04 154.69 45.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.964 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.666 ' HB2' HD11 ' A' ' 95' ' ' LEU . 32.3 ttt180 -121.42 124.42 44.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 69.5 mt -74.07 102.21 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 91' ' ' ASP . 3.0 t -78.09 122.47 85.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.711 . . . . 0.0 111.151 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -172.07 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.682 2.254 . . . . 0.0 112.335 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.855 0.359 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ttm105 -41.22 -67.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.468 ' C ' ' CD ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -59.6 -54.1 50.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -39.09 -50.92 1.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.713 ' HG ' HD11 ' A' ' 17' ' ' ILE . 48.3 tp -65.76 -47.37 75.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.515 ' HA ' HD12 ' A' ' 17' ' ' ILE . 88.7 mt -53.64 -39.75 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.02 -41.11 97.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -68.03 -40.07 82.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.713 HD11 ' HG ' ' A' ' 13' ' ' LEU . 11.5 mt -68.71 -44.21 82.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -57.83 -45.6 85.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 p -62.12 -34.95 77.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.84 25.08 71.74 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -68.8 -44.62 73.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -83.23 137.48 42.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.662 0.744 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 146.41 60.71 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.22 -38.73 3.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.1 tp -75.42 101.97 4.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.883 0.373 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.4 m -145.69 151.87 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.59 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 98.3 m95 -78.13 121.34 24.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -67.23 -28.11 67.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.443 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 34.3 p30 -121.61 171.45 8.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -78.57 -33.3 47.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.443 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 13.9 pt-20 -57.36 -12.78 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.59 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 23.3 mmtm 62.29 33.98 16.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.1 t -104.27 -38.03 7.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.6 mt -108.73 140.04 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.406 ' CD1' ' CZ3' ' A' ' 27' ' ' TRP . 9.8 p90 -150.02 174.61 12.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -127.37 134.53 49.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 108' ' ' LYS . 7.0 tt -114.05 135.28 22.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 111.189 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.431 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 54.1 Cg_endo -69.77 116.0 4.35 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.551 ' CE3' ' HD2' ' A' ' 108' ' ' LYS . 2.7 t-105 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.429 ' O ' ' CB ' ' A' ' 57' ' ' LYS . . . . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.764 0.316 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.38 -57.25 13.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.9 tp -74.5 -53.67 9.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -48.03 -48.83 32.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.43 ' HD2' ' CZ3' ' A' ' 78' ' ' TRP . 11.4 tptp -46.76 -57.93 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -39.04 -58.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -51.88 -51.62 55.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 57' ' ' LYS . . . -38.85 -32.3 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.085 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.1 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.591 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.5 Cg_exo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 121.608 0.587 . . . . 0.0 112.335 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 64.5 Cg_exo -48.03 -43.32 30.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.357 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.6 m -68.63 -45.26 72.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.086 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.562 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 4.8 m0 -63.52 -58.49 6.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -41.57 -42.61 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 81' ' ' ARG . 90.7 m -76.37 -52.84 9.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.49 ' HA ' ' CZ ' ' A' ' 81' ' ' ARG . 2.2 mmp_? -34.06 -37.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 85' ' ' ALA . 14.7 tp -79.77 -65.27 1.02 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 82' ' ' LEU . 1.6 ptp180 -34.2 -37.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 82' ' ' LEU . 2.8 t -71.89 -49.94 33.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 82' ' ' LEU . . . -56.89 -51.09 70.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.103 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 tp -41.6 -62.46 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -58.13 -42.42 85.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -55.15 -40.09 70.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.2 t -52.05 122.58 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -83.67 -26.64 29.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 113' ' ' VAL . 5.0 m-20 -81.95 16.7 1.78 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -121.52 142.54 49.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.459 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 11.9 tt0 -110.22 147.18 34.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -87.83 108.39 19.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.843 HD12 HG12 ' A' ' 109' ' ' VAL . 22.5 mt -96.16 18.02 14.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 95' ' ' LEU . 12.2 p -37.85 -25.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 95' ' ' LEU . 39.0 mt-10 -54.1 -43.69 70.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -92.17 -22.01 20.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.409 ' HB2' ' HA ' ' A' ' 108' ' ' LYS . 29.5 p -52.0 134.49 32.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.924 ' HB3' HD12 ' A' ' 103' ' ' ILE . 14.4 mm-40 -124.31 103.56 8.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.473 HD21 ' HG3' ' A' ' 108' ' ' LYS . 6.0 mt -115.54 13.39 16.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.71 16.84 14.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.924 HD12 ' HB3' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -115.7 -179.58 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.1 t -41.03 -59.33 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.433 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 74.6 m-20 -114.17 105.55 54.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.7 Cg_endo -69.74 151.63 69.22 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.55 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 49.1 p90 -168.0 156.72 9.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.551 ' HD2' ' CE3' ' A' ' 39' ' ' TRP . 41.6 mttm -117.45 125.17 50.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.843 HG12 HD12 ' A' ' 95' ' ' LEU . 26.5 t -94.05 143.56 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -143.48 158.08 43.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.661 ' HB2' HD11 ' A' ' 95' ' ' LEU . 9.2 ttt180 -124.21 126.29 45.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.454 HD13 HD11 ' A' ' 14' ' ' ILE . 75.8 mt -73.28 102.04 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 91' ' ' ASP . 6.2 t -78.85 125.59 83.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.72 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 179.0 4.05 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.721 HD22 ' HB1' ' A' ' 85' ' ' ALA . 6.0 tp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.795 0.331 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 9' ' ' LEU . 2.1 tmt_? -35.17 -66.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' TRP . 4.1 tp60 -72.72 -53.15 12.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 90.9 t90 -36.67 -61.32 0.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.9 tp -53.12 -58.12 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.51 ' HA ' HD12 ' A' ' 17' ' ' ILE . 72.5 mt -45.43 -42.02 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -62.3 -36.43 82.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -68.25 -41.13 81.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.542 HG22 ' CD1' ' A' ' 27' ' ' TRP . 16.5 mt -65.99 -44.72 92.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -58.31 -45.43 88.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.9 p -63.82 -34.23 77.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.6 29.0 73.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.442 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -72.14 -40.1 68.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.709 0.29 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 2.9 m-85 -90.11 144.18 30.87 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.659 0.742 . . . . 0.0 110.945 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 151.99 69.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.57 -41.17 2.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.531 HD11 HG12 ' A' ' 17' ' ' ILE . 15.5 tp -65.95 105.73 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.9 m -155.14 147.29 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.59 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 95.8 m95 -77.91 119.54 21.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.439 ' HG3' HG22 ' A' ' 34' ' ' ILE . 17.9 mt-10 -61.32 -30.18 70.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.532 ' ND2' HD12 ' A' ' 34' ' ' ILE . 31.3 p30 -121.33 176.46 5.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' N ' ' CD ' ' A' ' 30' ' ' GLU . 20.5 mp0 -83.34 -32.11 26.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.6 pt-20 -57.91 -11.99 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.59 ' HD3' ' CD1' ' A' ' 27' ' ' TRP . 23.4 mmtm 63.62 34.79 12.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.1 t -106.04 -37.03 6.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.532 HD12 ' ND2' ' A' ' 29' ' ' ASN . 28.4 mt -107.52 137.42 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.482 ' O ' HG13 ' A' ' 109' ' ' VAL . 16.4 p90 -148.83 174.42 12.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -132.07 133.95 44.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.4 tt -114.19 134.17 22.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 106.39 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.563 ' CZ2' ' HE3' ' A' ' 79' ' ' LYS . 7.3 t-105 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.738 0.304 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.69 -52.36 60.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.566 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 7.4 tp -54.15 -46.51 72.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -57.77 -60.74 3.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.589 ' HG3' ' CE3' ' A' ' 78' ' ' TRP . 21.4 mtpp -47.3 -47.65 25.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.17 -44.22 32.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.536 ' CZ2' ' HB2' ' A' ' 9' ' ' LEU . 31.7 t-105 -67.99 -53.58 24.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.46 -49.32 61.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.08 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.599 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 66.9 Cg_exo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 121.537 0.557 . . . . 0.0 112.32 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.0 Cg_exo -48.0 -44.78 26.94 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.727 2.284 . . . . 0.0 112.32 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.8 m -60.99 -48.26 82.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.589 ' CE3' ' HG3' ' A' ' 57' ' ' LYS . 6.2 m0 -66.28 -58.49 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.563 ' HE3' ' CZ2' ' A' ' 39' ' ' TRP . 4.3 tmtm? -38.67 -50.49 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 81' ' ' ARG . 91.3 m -68.49 -55.31 12.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 81' ' ' ARG . 2.5 mmp_? -35.82 -56.11 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' ARG . 67.0 tp -67.69 -56.72 8.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' LEU . 50.5 ttt180 -35.28 -47.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.3 t -55.53 -57.78 10.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.721 ' HB1' HD22 ' A' ' 9' ' ' LEU . . . -47.62 -48.34 28.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.8 tp -47.77 -63.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -58.44 -43.58 88.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -53.12 -40.92 64.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.7 t -52.32 124.05 12.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -90.6 -29.25 17.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.1 m-20 -80.32 14.12 2.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -114.89 145.2 42.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -109.82 150.92 27.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -92.48 109.1 20.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.935 HD12 HG12 ' A' ' 109' ' ' VAL . 20.8 mt -96.14 18.09 14.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 95' ' ' LEU . 11.5 p -35.42 -30.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 95' ' ' LEU . 2.1 mp0 -53.24 -43.84 67.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -86.78 -22.84 25.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.406 ' HB2' ' HA ' ' A' ' 96' ' ' VAL . 3.4 m -52.12 133.84 33.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.431 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 29.1 mm-40 -124.59 104.83 8.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.452 HD23 ' HB2' ' A' ' 106' ' ' PRO . 8.4 mt -106.39 -16.17 14.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.12 12.9 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 104' ' ' SER . 33.7 pt -108.47 160.54 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 103' ' ' ILE . 5.5 t -36.28 -55.13 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -112.73 102.02 53.84 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.673 0.749 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.452 ' HB2' HD23 ' A' ' 101' ' ' LEU . 53.9 Cg_endo -69.77 146.01 58.84 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -158.66 148.19 19.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.424 ' HE3' ' CE2' ' A' ' 39' ' ' TRP . 49.7 mttt -107.41 129.97 54.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.935 HG12 HD12 ' A' ' 95' ' ' LEU . 19.3 t -101.04 143.09 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -143.77 152.34 41.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.496 ' HB2' HD11 ' A' ' 95' ' ' LEU . 8.9 ttt180 -118.17 127.44 53.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 77.4 mt -74.24 102.08 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 91' ' ' ASP . 4.3 t -76.98 122.64 86.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.651 0.739 . . . . 0.0 111.104 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -174.27 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.321 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.85 0.357 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -43.54 -64.67 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -67.75 -53.88 23.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -37.66 -61.17 0.64 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.587 ' HG ' HD11 ' A' ' 17' ' ' ILE . 27.8 tp -53.06 -58.82 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.539 ' HA ' HD12 ' A' ' 17' ' ' ILE . 72.0 mt -42.69 -40.91 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -65.38 -38.72 90.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -68.51 -40.95 80.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.587 HD11 ' HG ' ' A' ' 13' ' ' LEU . 11.8 mt -65.9 -50.41 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -51.55 -45.43 63.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.0 p -63.03 -36.13 82.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.43 25.06 71.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm -70.66 -39.35 73.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.518 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 4.5 m-85 -86.39 138.46 34.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.676 0.751 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 146.77 61.22 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.32 -37.65 3.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.5 tp -76.21 107.49 8.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 0.0 110.937 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.3 m -153.73 151.94 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.637 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 90.9 m95 -77.45 125.2 28.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -65.81 -26.53 67.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.441 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 28.8 p30 -125.03 174.5 7.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -83.47 -25.81 30.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.441 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.6 pt-20 -63.08 -11.59 20.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.637 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 2.9 mmmm 62.45 35.57 14.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -105.45 -38.08 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 mt -111.42 143.63 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -149.31 169.6 20.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.05 132.79 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 108' ' ' LYS . 6.9 tt -114.82 134.42 22.44 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.576 0.703 . . . . 0.0 111.11 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.417 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.4 Cg_endo -69.76 112.79 3.17 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.542 ' CD2' ' HD2' ' A' ' 108' ' ' LYS . 3.8 t-105 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.79 0.329 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -37.08 -46.68 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.518 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 14.1 tp -64.5 -67.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.899 ' CD1' HD23 ' A' ' 82' ' ' LEU . 61.7 m-85 -47.62 -59.14 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.491 ' HG3' ' CZ2' ' A' ' 78' ' ' TRP . 78.0 tttt -44.79 -50.17 10.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.03 -40.56 45.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -59.04 -41.23 87.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.22 -54.03 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.588 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.8 Cg_exo . . . . . 0 N--CA 1.465 -0.181 0 CA-C-O 121.653 0.605 . . . . 0.0 112.377 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 64.9 Cg_exo -47.93 -22.26 3.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 35.2 m -87.35 -47.03 9.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.537 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 5.7 m0 -64.24 -53.27 51.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.554 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 32.8 mtpt -48.97 -46.36 43.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.1 m -67.62 -51.8 45.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.423 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 19.0 mmt180 -56.69 -20.38 21.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.899 HD23 ' CD1' ' A' ' 56' ' ' PHE . 21.6 tp -95.24 -40.3 9.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.8 ttm105 -69.66 -33.78 73.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 81' ' ' ARG . 12.1 p -58.28 -50.01 75.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.3 -48.54 41.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.6 tp -43.17 -36.14 1.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -83.14 -46.47 12.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -56.8 -30.77 64.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 t -52.02 117.12 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -87.16 -24.34 24.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 113' ' ' VAL . 30.8 m-20 -79.88 12.34 2.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -118.26 143.97 46.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.444 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 4.0 tp10 -110.04 151.15 27.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -92.75 109.96 21.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.899 HD12 HG12 ' A' ' 109' ' ' VAL . 40.9 mt -97.46 17.97 16.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.4 p -34.96 -30.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 95' ' ' LEU . 43.6 mt-10 -49.38 -43.96 44.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -88.79 -25.81 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.411 ' HB2' ' HA ' ' A' ' 108' ' ' LYS . 18.8 p -52.01 130.65 30.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.45 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 17.2 mm-40 -119.07 102.55 8.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.7 mt -102.94 -16.93 15.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -83.83 18.0 2.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.3 pt -114.03 163.57 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.5 m -38.55 -49.9 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.407 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 0.8 OUTLIER -117.84 101.98 51.62 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.611 0.719 . . . . 0.0 110.873 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.48 ' HG2' ' O ' ' A' ' 39' ' ' TRP . 53.7 Cg_endo -69.76 147.58 63.19 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.45 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 47.3 p90 -158.02 144.28 17.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.636 ' O ' HG22 ' A' ' 37' ' ' ILE . 12.4 mttm -106.99 123.7 48.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.917 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.899 HG12 HD12 ' A' ' 95' ' ' LEU . 42.8 t -94.39 138.8 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -138.08 152.88 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.66 ' HB2' HD11 ' A' ' 95' ' ' LEU . 5.1 ttt180 -118.34 127.4 53.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.5 mt -72.63 101.99 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 91' ' ' ASP . 5.9 t -79.48 122.56 84.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 0.0 111.2 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -176.41 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.444 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 4.8 tp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.823 0.344 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' LEU . 30.5 ttt-85 -37.48 -65.39 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' TRP . 22.7 tp60 -69.01 -56.14 8.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.577 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 90.3 t90 -36.61 -61.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.58 ' HG ' HD11 ' A' ' 17' ' ' ILE . 24.7 tp -53.59 -61.17 2.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.758 ' HA ' HD12 ' A' ' 17' ' ' ILE . 58.0 mt -42.77 -41.33 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.16 -40.32 97.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -67.93 -40.41 83.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 14' ' ' ILE . 9.0 mt -64.87 -50.38 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -52.34 -51.04 61.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.6 p -56.47 -43.87 80.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.56 27.93 64.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -71.34 -40.49 70.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -90.57 143.14 28.69 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.675 0.75 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 152.44 69.62 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.99 -40.56 2.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.1 tp -69.96 102.03 1.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.9 m -149.67 148.27 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.629 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 98.7 m95 -77.34 121.54 23.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -64.71 -22.76 67.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.446 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 31.8 p30 -130.4 177.44 7.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -85.5 -23.56 27.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 13.3 pt-20 -68.0 -8.28 36.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.629 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 22.5 mmtm 59.81 32.12 21.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 t -101.15 -39.23 7.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.0 mt -109.57 137.28 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -147.04 173.73 12.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -130.94 132.93 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.453 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 9.4 tt -114.54 135.72 22.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.638 0.732 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.453 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.5 Cg_endo -69.82 110.98 2.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.308 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.776 0.322 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.81 94.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.86 -52.49 63.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -63.39 -43.74 96.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.558 ' HD2' ' CH2' ' A' ' 78' ' ' TRP . 15.1 tptt -50.45 -48.32 56.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.4 89.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.577 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 26.4 t-105 -49.52 -59.35 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.82 -66.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.08 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.598 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.9 Cg_exo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 121.592 0.58 . . . . 0.0 112.318 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 63.3 Cg_exo -47.96 -51.57 9.69 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.366 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.7 m -54.04 -47.12 71.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.576 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 9.7 m0 -65.63 -48.37 72.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.99 -54.85 39.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.528 ' HA ' ' CD ' ' A' ' 83' ' ' ARG . 56.9 m -62.62 -42.7 99.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -58.14 -51.91 67.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.47 HD13 ' CG ' ' A' ' 59' ' ' TRP . 25.5 tp -67.07 -67.23 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.528 ' CD ' ' HA ' ' A' ' 80' ' ' THR . 17.6 ptt180 -32.79 -46.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.495 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 3.2 t -60.93 -61.07 2.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -42.23 -55.54 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.2 tp -42.71 -56.59 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -62.87 -41.95 99.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -40.0 67.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -52.24 115.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -77.3 -29.97 53.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 113' ' ' VAL . 7.4 m-20 -78.67 11.02 2.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -115.49 142.06 47.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.482 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 3.3 tp10 -110.06 150.11 29.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -92.38 110.42 21.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.994 HD12 HG12 ' A' ' 109' ' ' VAL . 58.8 mt -96.11 18.03 14.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 95' ' ' LEU . 6.4 p -35.36 -31.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.134 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 95' ' ' LEU . 73.2 mt-10 -52.26 -43.39 64.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -85.81 -26.2 25.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.404 ' HB2' ' HA ' ' A' ' 108' ' ' LYS . 4.8 p -51.99 131.96 31.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.496 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 14.6 mm-40 -117.92 102.11 8.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.486 HD23 ' HB2' ' A' ' 106' ' ' PRO . 7.7 mt -102.91 -17.93 15.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.06 17.92 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 27.4 pt -112.96 166.3 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.3 m -42.86 -46.94 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -120.05 102.0 46.82 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.631 0.729 . . . . 0.0 110.836 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.486 ' HB2' HD23 ' A' ' 101' ' ' LEU . 53.8 Cg_endo -69.71 146.07 59.35 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.496 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 48.9 p90 -156.26 147.95 22.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.404 ' HA ' ' HB2' ' A' ' 99' ' ' SER . 11.6 mttm -107.19 125.76 51.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.994 HG12 HD12 ' A' ' 95' ' ' LEU . 48.2 t -96.58 141.07 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -140.54 152.22 45.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.633 ' HB2' HD11 ' A' ' 95' ' ' LEU . 7.0 ttt180 -119.29 124.99 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 71.8 mt -71.56 102.0 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 91' ' ' ASP . 7.2 t -79.04 122.54 84.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 111.118 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -174.7 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.407 HD22 ' HB1' ' A' ' 85' ' ' ALA . 16.8 tp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.817 0.341 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -45.05 -68.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' TRP . 22.1 tp60 -60.86 -58.99 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' GLN . 81.3 t90 -36.7 -58.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.2 tp -57.36 -59.6 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.777 ' HA ' HD12 ' A' ' 17' ' ' ILE . 46.0 mt -42.88 -41.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.14 -37.56 85.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -68.25 -38.15 81.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 14' ' ' ILE . 7.5 mt -69.15 -49.98 57.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -51.95 -47.57 64.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 p -63.32 -34.97 78.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.69 28.74 73.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -72.49 -38.06 68.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.534 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 5.5 m-85 -88.82 141.17 29.63 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.662 0.744 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 145.53 57.39 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.82 -42.34 3.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.474 HD11 HG12 ' A' ' 17' ' ' ILE . 15.5 tp -66.89 102.34 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.6 m -145.27 146.37 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.592 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 99.3 m95 -78.33 111.96 14.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -58.23 -28.59 65.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.64 ' ND2' HD12 ' A' ' 34' ' ' ILE . 34.4 p30 -122.76 163.02 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -72.09 -32.7 67.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 12.6 pt-20 -56.47 -13.3 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.592 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 21.3 mmtm 62.71 32.69 16.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.6 p -105.21 -34.12 8.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.64 HD12 ' ND2' ' A' ' 29' ' ' ASN . 20.4 mt -111.47 133.87 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -143.7 170.98 14.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -122.97 135.65 54.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.531 HG22 ' O ' ' A' ' 108' ' ' LYS . 4.6 tt -114.36 132.08 22.97 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.637 0.732 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 108.63 2.12 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.643 2.229 . . . . 0.0 112.393 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.461 ' CE2' ' HE3' ' A' ' 108' ' ' LYS . 3.4 t-105 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.742 0.306 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -32.39 -40.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.534 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 25.8 tp -78.1 -57.76 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.729 ' CD1' HD23 ' A' ' 82' ' ' LEU . 87.8 m-85 -53.93 -56.71 15.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.525 ' HG3' ' CE2' ' A' ' 78' ' ' TRP . 46.1 tttm -45.08 -59.29 2.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -40.75 -41.11 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.065 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.409 ' HB3' ' O ' ' A' ' 56' ' ' PHE . 29.9 t-105 -52.16 -48.75 64.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.49 -59.71 4.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.479 HD11 ' NZ ' ' A' ' 57' ' ' LYS . 7.5 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.591 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.6 Cg_exo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 121.571 0.571 . . . . 0.0 112.331 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.9 Cg_exo -47.98 -60.47 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.258 . . . . 0.0 112.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.3 m -50.54 -44.46 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.525 ' CE2' ' HG3' ' A' ' 57' ' ' LYS . 28.4 m0 -63.28 -41.54 99.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.57 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 32.7 mtpt -73.65 -67.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 81' ' ' ARG . 36.7 m -39.04 -68.36 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 80' ' ' THR . 5.1 mpt_? -36.2 -68.34 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.729 HD23 ' CD1' ' A' ' 56' ' ' PHE . 59.8 tp -49.59 -41.5 42.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.45 ' HG2' ' CH2' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -58.44 -41.32 84.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.61 -42.19 74.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.407 ' HB1' HD22 ' A' ' 9' ' ' LEU . . . -56.97 -50.19 73.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.9 tp -40.7 -56.58 2.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -61.48 -43.79 98.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 35.8 mttm -50.51 -41.05 53.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.0 m -52.15 116.02 2.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -86.69 -27.39 23.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 113' ' ' VAL . 0.8 OUTLIER -81.75 15.48 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -113.48 145.0 41.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.43 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 7.3 tp10 -110.2 151.05 27.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.473 ' HG2' HG12 ' A' ' 96' ' ' VAL . 8.0 tt0 -93.08 109.78 21.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.843 HD12 HG12 ' A' ' 109' ' ' VAL . 12.6 mt -97.65 18.03 16.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.473 HG12 ' HG2' ' A' ' 94' ' ' GLU . 12.5 p -37.88 -26.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 95' ' ' LEU . 30.8 mt-10 -57.36 -42.6 82.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -90.61 -23.81 20.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.472 ' HA ' HG23 ' A' ' 109' ' ' VAL . 10.5 p -52.0 139.52 22.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.587 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 13.1 mm-40 -125.2 102.87 7.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.4 mt -114.03 14.59 18.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -117.92 17.91 14.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.682 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -117.32 177.56 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.1 m -42.4 -60.31 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.564 ' O ' HD11 ' A' ' 103' ' ' ILE . 6.5 t0 -110.61 102.09 50.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.635 0.731 . . . . 0.0 110.835 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.5 Cg_endo -69.75 151.54 69.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 31.8 p90 -164.73 152.23 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.531 ' O ' HG22 ' A' ' 37' ' ' ILE . 41.6 mttt -110.36 123.0 49.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.843 HG12 HD12 ' A' ' 95' ' ' LEU . 45.7 t -91.65 140.9 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -144.16 154.04 42.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.608 ' HB2' HD11 ' A' ' 95' ' ' LEU . 12.4 ttt180 -120.73 127.01 51.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.2 mt -74.5 103.02 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 91' ' ' ASP . 5.4 t -78.43 123.49 85.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.642 0.734 . . . . 0.0 111.063 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -174.45 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.31 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.404 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 6.3 tp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.793 0.33 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -47.03 -64.41 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' TRP . 3.4 tp-100 -64.42 -58.67 5.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 85.1 t90 -38.01 -56.16 1.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.539 ' HG ' HD11 ' A' ' 17' ' ' ILE . 45.9 tp -59.4 -54.46 46.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.484 ' HA ' HD12 ' A' ' 17' ' ' ILE . 65.3 mt -47.98 -39.04 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -65.7 -39.48 91.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -65.79 -40.81 92.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.706 HG22 ' CD1' ' A' ' 27' ' ' TRP . 9.1 mt -69.4 -48.7 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.551 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 8.2 t70 -50.5 -47.34 57.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 p -64.99 -33.55 76.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.5 29.0 73.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -70.41 -38.6 74.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.547 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 2.6 m-85 -87.73 140.94 31.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.663 0.744 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 148.05 63.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.703 2.269 . . . . 0.0 112.311 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.44 -45.43 3.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.463 HD21 HG13 ' A' ' 17' ' ' ILE . 18.3 tp -67.77 101.99 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.934 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.4 m -141.49 146.29 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.706 ' CD1' HG22 ' A' ' 17' ' ' ILE . 99.4 m95 -77.15 116.34 17.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -58.73 -23.06 59.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.415 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 29.8 p30 -131.32 177.68 7.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -85.8 -25.79 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.415 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 10.0 pt-20 -66.34 -6.52 14.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.624 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 22.5 mmtm 58.6 32.1 21.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.6 t -99.79 -40.09 7.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.6 mt -109.35 137.18 42.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -147.03 174.76 11.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -128.66 136.51 50.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.566 HG22 ' O ' ' A' ' 108' ' ' LYS . 12.0 tt -114.11 130.88 23.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.647 0.737 . . . . 0.0 111.165 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.435 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.2 Cg_endo -69.77 113.25 3.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.306 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.593 ' CE3' ' HD2' ' A' ' 108' ' ' LYS . 6.7 t-105 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.789 0.328 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.78 -42.69 17.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.547 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 10.5 tp -67.92 -59.5 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -50.69 -57.67 7.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -40.83 -55.59 2.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.69 -44.28 47.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.533 ' CD1' HD13 ' A' ' 82' ' ' LEU . 31.4 t-105 -52.42 -57.15 10.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.72 -64.71 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.4 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.589 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.5 Cg_exo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.588 0.578 . . . . 0.0 112.319 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.7 Cg_exo -48.01 -48.81 15.34 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.0 m -63.14 -44.52 95.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.407 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 36.1 m0 -60.75 -48.78 80.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -72.03 -65.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.6 m -36.34 -65.31 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 81' ' ' ARG . 0.4 OUTLIER -42.42 -67.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.533 HD13 ' CD1' ' A' ' 59' ' ' TRP . 27.7 tp -46.99 -59.8 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -39.22 -50.09 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.84 -46.73 87.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.91 -50.67 71.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.8 tp -44.22 -49.9 9.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -69.68 -42.93 73.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -53.52 -40.08 65.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.1 t -52.1 105.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -72.19 -27.42 62.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.1 m-20 -80.3 13.34 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -114.09 143.72 44.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.447 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 1.2 tp10 -109.93 147.16 33.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -89.22 110.4 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.785 HD12 HG12 ' A' ' 109' ' ' VAL . 10.2 mt -98.88 17.96 18.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.442 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 14.8 p -35.08 -28.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 95' ' ' LEU . 35.8 mt-10 -52.04 -41.05 61.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 4.3 mtp85 -89.79 -24.75 21.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.446 ' HB2' ' HA ' ' A' ' 108' ' ' LYS . 8.0 p -52.01 124.36 12.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 13.1 mm-40 -116.76 101.98 9.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.457 HD23 ' HB2' ' A' ' 106' ' ' PRO . 6.8 mt -100.8 -17.11 17.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.33 18.02 1.92 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 21.4 pt -113.84 164.04 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.4 m -41.8 -47.22 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -118.83 102.07 49.78 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.621 0.724 . . . . 0.0 110.816 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.457 ' HB2' HD23 ' A' ' 101' ' ' LEU . 53.1 Cg_endo -69.86 142.93 48.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.295 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.425 ' HA ' ' O ' ' A' ' 37' ' ' ILE . 38.6 p90 -154.72 146.24 23.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.593 ' HD2' ' CE3' ' A' ' 39' ' ' TRP . 11.9 mttm -108.07 126.75 53.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.785 HG12 HD12 ' A' ' 95' ' ' LEU . 96.1 t -94.92 143.01 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -144.72 152.35 40.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.589 ' HB2' HD11 ' A' ' 95' ' ' LEU . 8.5 ttt180 -119.63 126.59 51.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.4 HD13 HD11 ' A' ' 14' ' ' ILE . 73.1 mt -71.72 102.0 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 91' ' ' ASP . 4.7 t -77.39 124.9 86.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 111.142 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -174.5 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 4.5 tp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.793 0.33 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -44.39 -67.23 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' TRP . 5.2 tp60 -61.51 -60.37 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.531 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 85.5 t90 -36.62 -58.19 0.74 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.6 tp -56.71 -57.29 13.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.738 ' HA ' HD12 ' A' ' 17' ' ' ILE . 38.7 mt -46.64 -42.11 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.56 -37.51 81.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.423 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 46.2 mm-40 -66.73 -39.91 88.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.738 HD12 ' HA ' ' A' ' 14' ' ' ILE . 8.2 mt -68.02 -47.22 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -55.33 -45.32 76.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.2 p -66.09 -34.52 78.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.815 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.12 29.4 74.84 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.543 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -73.39 -38.67 65.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 16' ' ' GLN . 1.6 m-85 -89.88 141.83 28.51 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.645 0.736 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 149.29 66.92 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.11 -36.76 2.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.471 HD11 HG12 ' A' ' 17' ' ' ILE . 17.0 tp -73.4 103.29 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.4 m -153.0 146.57 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.651 ' CD1' HG22 ' A' ' 17' ' ' ILE . 81.6 m95 -77.4 122.33 25.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -67.33 -24.04 65.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.479 ' ND2' HD12 ' A' ' 34' ' ' ILE . 32.2 p30 -124.93 170.36 11.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -79.54 -32.34 42.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 8.5 pt-20 -55.57 -13.77 1.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.609 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 2.4 mmmp? 63.12 37.38 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 t -110.04 -37.85 5.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.479 HD12 ' ND2' ' A' ' 29' ' ' ASN . 40.7 mt -106.79 138.78 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -148.54 173.68 12.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -127.49 134.72 49.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.428 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 13.8 tt -114.05 134.9 22.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 111.109 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.8 Cg_endo -69.74 113.49 3.39 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.731 2.288 . . . . 0.0 112.37 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.789 0.328 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -33.96 -39.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.1 tp -73.57 -67.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -47.25 -52.89 14.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HD3' ' CH2' ' A' ' 78' ' ' TRP . 17.7 tptm -47.6 -57.41 5.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.98 -42.54 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.531 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 34.0 t-105 -56.96 -50.17 73.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.68 -62.43 1.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.597 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.4 Cg_exo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 121.642 0.601 . . . . 0.0 112.336 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.1 Cg_exo -48.01 -40.44 33.35 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.7 m -67.4 -48.98 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.561 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 7.4 m0 -61.41 -45.34 94.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -63.76 -47.64 80.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.8 m -61.31 -46.29 90.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -51.86 -58.66 5.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.9 tp -65.97 -53.6 36.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -44.67 -51.49 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.98 -53.99 22.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.495 ' O ' ' HG3' ' A' ' 88' ' ' LYS . . . -59.11 -47.65 84.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.7 tp -41.88 -21.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ALA . 5.8 t-20 -96.84 -54.54 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -49.7 -30.87 9.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.9 p -55.91 102.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -76.92 -26.58 54.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 113' ' ' VAL . 2.3 p-10 -78.2 10.78 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -116.6 143.34 45.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.433 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.8 tt0 -109.9 144.94 37.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -85.13 108.08 17.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.74 HD11 ' HB2' ' A' ' 111' ' ' ARG . 13.6 mt -96.75 18.02 15.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 95' ' ' LEU . 2.6 p -35.96 -34.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.194 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 95' ' ' LEU . 81.3 mt-10 -46.04 -44.13 15.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -88.24 -25.21 22.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.8 p -52.04 139.9 21.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.554 ' HB3' HD12 ' A' ' 103' ' ' ILE . 14.6 mm-40 -125.6 106.04 9.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.2 mt -113.75 13.16 18.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -117.98 18.0 14.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.728 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -115.84 177.61 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 t -43.05 -59.47 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.468 ' O ' HD11 ' A' ' 103' ' ' ILE . 64.6 m-20 -112.62 105.37 56.0 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.556 0.693 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.2 Cg_endo -69.77 151.79 69.12 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.341 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.457 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 49.0 p90 -165.77 152.1 9.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -112.01 124.67 52.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.613 HG12 HD12 ' A' ' 95' ' ' LEU . 60.0 t -92.94 144.94 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -145.13 158.41 43.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.74 ' HB2' HD11 ' A' ' 95' ' ' LEU . 6.2 ttt180 -122.96 126.5 47.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 71.2 mt -72.87 102.01 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 91' ' ' ASP . 7.5 t -81.01 124.05 81.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.681 0.753 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.96 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.664 2.243 . . . . 0.0 112.372 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.839 0.352 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -44.77 -64.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -64.18 -53.67 45.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.57 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 76.4 t90 -40.73 -59.59 1.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.473 HD23 ' HE2' ' A' ' 92' ' ' PHE . 50.6 tp -57.32 -59.65 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.884 ' HA ' HD12 ' A' ' 17' ' ' ILE . 49.8 mt -44.03 -39.94 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -61.46 -40.67 95.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -64.27 -38.08 89.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.884 HD12 ' HA ' ' A' ' 14' ' ' ILE . 8.9 mt -67.01 -49.87 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -51.83 -55.83 17.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.2 p -54.03 -33.32 56.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.29 27.19 68.84 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -69.55 -38.84 77.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.499 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 3.2 m-85 -87.98 141.21 31.23 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.703 0.763 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.36 56.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.38 -43.67 3.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.524 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.81 102.43 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.3 m -150.44 146.38 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 93.0 m95 -77.15 109.75 11.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -55.35 -30.05 59.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.479 ' CG ' ' CG ' ' A' ' 31' ' ' GLU . 42.3 p30 -123.08 153.08 40.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.4 -31.77 73.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.479 ' CG ' ' CG ' ' A' ' 29' ' ' ASN . 12.7 pt-20 -54.52 -14.12 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.597 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 0.8 OUTLIER 62.74 36.11 13.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.9 m -108.31 -37.7 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.445 HD12 ' ND2' ' A' ' 29' ' ' ASN . 25.9 mt -110.74 139.89 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -145.19 167.87 21.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' HB2' ' CD2' ' A' ' 107' ' ' TYR . 1.4 ptt180 -121.48 139.57 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.71 HG22 ' O ' ' A' ' 108' ' ' LYS . 7.8 tt -116.87 134.63 22.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.651 0.739 . . . . 0.0 111.08 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.446 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.1 Cg_endo -69.8 111.78 2.91 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.732 2.288 . . . . 0.0 112.296 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.406 ' O ' ' HG2' ' A' ' 106' ' ' PRO . 2.4 t-105 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.802 0.334 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.41 -54.14 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.499 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 49.6 tp -57.94 -55.88 29.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.574 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 67.8 m-85 -57.87 -66.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.513 ' HD2' ' CZ3' ' A' ' 78' ' ' TRP . 54.2 tttt -35.32 -46.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.4 -48.0 77.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.57 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 57.8 t-105 -52.87 -47.5 67.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.544 ' CB ' ' CD1' ' A' ' 78' ' ' TRP . . . -55.8 -51.53 67.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.908 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.599 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 66.0 Cg_exo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 121.55 0.563 . . . . 0.0 112.323 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.4 Cg_exo -48.02 -52.31 8.46 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.365 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.0 m -66.33 -44.96 81.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.544 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 22.9 m0 -54.74 -44.82 73.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.574 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 62.2 tttt -68.86 -58.64 3.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.3 m -44.83 -43.09 8.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -54.53 -57.1 12.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.518 HD23 ' CE1' ' A' ' 56' ' ' PHE . 16.7 tp -63.56 -51.88 63.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -45.49 -44.2 12.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.32 -48.88 47.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 86' ' ' LEU . . . -58.08 -63.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 85' ' ' ALA . 27.4 tp -35.68 -49.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.51 -44.12 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -41.23 67.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 t -56.21 102.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -64.84 -38.17 90.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -57.5 -12.6 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.473 ' HE2' HD23 ' A' ' 13' ' ' LEU . 3.2 m-85 -108.98 133.51 52.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.492 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.5 tt0 -109.83 153.8 23.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 9.5 tt0 -111.35 116.05 30.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 111' ' ' ARG . 17.6 mt -92.74 101.96 14.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.439 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.1 OUTLIER -79.16 -36.81 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -48.59 -30.77 5.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -100.93 -15.3 17.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.439 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 42.8 p -61.09 127.49 31.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.548 ' HB3' HD12 ' A' ' 103' ' ' ILE . 27.3 mm-40 -121.72 102.05 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.509 HD21 ' HG3' ' A' ' 108' ' ' LYS . 8.8 mt -116.79 14.0 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -117.5 18.03 14.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.79 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -117.62 171.02 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 103' ' ' ILE . 2.0 m -35.63 -56.16 0.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.547 ' O ' HD11 ' A' ' 103' ' ' ILE . 0.9 OUTLIER -115.82 105.58 51.26 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 110.865 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.7 Cg_endo -69.78 139.81 41.07 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.625 2.217 . . . . 0.0 112.352 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.506 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 49.0 p90 -157.9 146.0 18.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.71 ' O ' HG22 ' A' ' 37' ' ' ILE . 18.7 mttm -107.05 129.93 54.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.7 t -88.93 147.1 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 94' ' ' GLU . 10.8 m-85 -134.36 170.53 15.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.769 ' HB2' HD11 ' A' ' 95' ' ' LEU . 7.6 ttt85 -139.68 125.17 19.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 93.3 mt -74.25 102.38 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.492 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 3.3 t -72.68 124.74 91.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.653 0.74 . . . . 0.0 111.109 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 178.05 4.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.685 2.257 . . . . 0.0 112.343 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.746 0.307 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -39.49 -67.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.478 ' C ' ' CD ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -63.95 -55.65 20.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' GLN . 90.7 t90 -36.7 -59.63 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.42 ' HG ' HD11 ' A' ' 17' ' ' ILE . 49.3 tp -59.79 -53.63 55.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.6 mt -45.41 -44.49 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.38 -36.86 81.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -66.57 -43.37 85.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.498 HG22 ' CD1' ' A' ' 27' ' ' TRP . 8.3 mt -69.65 -45.12 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.517 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 14.5 t0 -58.97 -47.08 86.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 p -59.16 -33.47 70.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.59 27.78 72.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -72.6 -38.55 67.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.535 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 3.5 m-85 -90.16 145.06 32.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.667 0.746 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 154.4 67.82 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.327 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.68 -48.64 2.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.404 ' HG ' HG23 ' A' ' 17' ' ' ILE . 12.0 tp -61.24 102.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.7 m -149.57 146.14 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.649 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 90.6 m95 -77.29 114.16 15.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -55.06 -29.61 57.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.508 ' ND2' ' CG ' ' A' ' 31' ' ' GLU . 44.3 p30 -123.27 170.8 9.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -79.76 -35.68 38.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.508 ' CG ' ' ND2' ' A' ' 29' ' ' ASN . 8.0 pt-20 -53.73 -14.63 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.649 ' HD3' ' CD1' ' A' ' 27' ' ' TRP . 6.4 mmtp 64.71 33.17 10.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.429 ' HB2' HD12 ' A' ' 34' ' ' ILE . 7.2 m -98.04 -41.48 7.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.429 HD12 ' HB2' ' A' ' 33' ' ' SER . 3.7 mp -112.47 141.79 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.406 ' N ' ' CD1' ' A' ' 35' ' ' PHE . 4.9 p90 -144.64 175.18 10.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.552 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 3.2 ptt180 -129.39 134.03 47.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 108' ' ' LYS . 17.1 tt -114.02 131.45 23.16 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.644 0.735 . . . . 0.0 111.078 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.415 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.4 Cg_endo -69.74 116.06 4.38 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.789 0.328 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.15 -42.74 73.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.535 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 11.6 tp -63.44 -51.57 65.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.418 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 58.1 m-85 -51.88 -45.22 64.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 58' ' ' ALA . 39.7 mtpt -57.56 -55.64 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' LYS . . . -37.14 -43.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.404 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 22.4 t-105 -61.65 -55.89 25.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.49 ' HB2' ' HD3' ' A' ' 81' ' ' ARG . . . -56.43 -43.61 79.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.589 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.0 Cg_exo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 121.607 0.586 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.2 Cg_exo -47.97 -38.22 31.01 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.649 2.233 . . . . 0.0 112.356 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.5 m -72.41 -50.65 24.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.554 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 10.1 m0 -58.54 -52.27 66.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 29.0 mttt -52.04 -58.95 5.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.5 m -54.06 -49.06 69.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.49 ' HD3' ' HB2' ' A' ' 60' ' ' ALA . 5.9 mtp180 -43.59 -60.55 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.5 tp -65.06 -40.36 94.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -52.72 -42.64 65.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.2 t -68.22 -46.04 71.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.61 -54.74 43.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.3 tp -44.09 -54.31 5.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -61.12 -45.33 95.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -56.0 -42.84 77.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.7 t -53.18 107.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -77.64 -29.51 51.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.58 7.64 4.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -119.86 135.77 54.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.453 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.4 tt0 -111.46 141.07 45.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.472 ' HA ' ' CD2' ' A' ' 110' ' ' TYR . 1.7 tt0 -92.05 113.43 25.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.97 HD11 ' HB2' ' A' ' 111' ' ' ARG . 28.2 mt -98.27 102.04 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.448 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.1 OUTLIER -87.88 -35.78 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -48.9 -40.78 31.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -89.6 -16.52 30.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.448 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 26.9 p -59.76 126.82 29.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.518 ' HB3' HD12 ' A' ' 103' ' ' ILE . 8.8 mm-40 -119.88 103.15 9.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 mt -116.13 12.58 15.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -111.92 2.15 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.641 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -101.6 164.14 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 103' ' ' ILE . 9.8 t -32.04 -58.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.616 ' O ' HD11 ' A' ' 103' ' ' ILE . 5.9 m-20 -110.52 102.12 50.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.4 Cg_endo -69.76 148.48 65.17 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.338 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.552 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 33.7 p90 -166.46 154.33 10.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.42 ' O ' HG22 ' A' ' 37' ' ' ILE . 64.2 mttt -108.95 131.15 55.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.505 HG12 HD12 ' A' ' 95' ' ' LEU . 91.3 t -93.56 139.42 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.472 ' CD2' ' HA ' ' A' ' 94' ' ' GLU . 9.8 m-85 -130.94 168.87 16.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.97 ' HB2' HD11 ' A' ' 95' ' ' LEU . 6.0 ttt180 -133.05 126.0 30.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 86.5 mt -73.88 102.78 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.453 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 4.0 t -76.71 125.05 87.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.74 . . . . 0.0 111.129 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -178.68 2.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.303 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.683 HD22 ' HB1' ' A' ' 85' ' ' ALA . 10.6 tp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.824 0.345 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -40.66 -66.21 0.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 12' ' ' TRP . 15.5 tp60 -63.54 -55.01 27.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.512 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 83.7 t90 -36.7 -61.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 16' ' ' GLN . 46.9 tp -54.72 -61.06 2.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.83 ' HA ' HD12 ' A' ' 17' ' ' ILE . 71.8 mt -41.04 -42.89 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -60.63 -39.59 88.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.443 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 50.1 mm-40 -64.57 -39.08 93.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.83 HD12 ' HA ' ' A' ' 14' ' ' ILE . 7.4 mt -67.99 -51.97 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -49.33 -54.24 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 p -56.94 -33.53 67.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.08 29.59 74.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -73.46 -38.7 65.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.759 0.314 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.443 ' CE1' ' HB3' ' A' ' 16' ' ' GLN . 1.6 m-85 -89.18 142.05 29.69 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.651 0.739 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 150.17 68.16 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.71 2.273 . . . . 0.0 112.358 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.2 -31.45 2.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.566 ' CD1' ' CE1' ' A' ' 35' ' ' PHE . 12.8 tp -77.64 105.42 8.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.4 m -156.04 145.31 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.6 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 87.9 m95 -77.34 124.09 27.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -72.2 -25.87 61.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.8 HD22 HD12 ' A' ' 34' ' ' ILE . 35.4 p30 -122.36 175.61 6.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -81.98 -34.48 29.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 8.7 pt-20 -55.51 -13.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.6 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 18.8 mmtm 63.12 32.03 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.7 t -105.67 -37.43 6.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.8 HD12 HD22 ' A' ' 29' ' ' ASN . 27.9 mt -102.19 130.23 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.566 ' CE1' ' CD1' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -147.19 165.06 31.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.428 ' N ' ' CD1' ' A' ' 35' ' ' PHE . 1.6 ptp180 -115.39 133.48 56.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.485 ' HB ' ' CE1' ' A' ' 35' ' ' PHE . 16.6 tt -113.28 130.19 23.87 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.667 0.746 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 111.37 2.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.323 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.838 0.352 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.79 -46.72 67.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.3 tp -58.79 -61.8 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -52.81 -49.28 65.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.444 ' HG2' ' CD1' ' A' ' 61' ' ' LEU . 33.1 tttt -56.63 -47.93 78.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.38 -46.84 47.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.512 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 73.6 t-105 -53.28 -52.79 57.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.07 -62.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.047 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.444 ' CD1' ' HG2' ' A' ' 57' ' ' LYS . 5.4 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.586 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.5 Cg_exo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 121.585 0.577 . . . . 0.0 112.356 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.2 Cg_exo -48.01 -18.93 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.702 2.268 . . . . 0.0 112.318 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.8 m -92.85 -44.86 8.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.471 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 3.5 m0 -65.09 -58.45 6.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -48.74 -53.94 16.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.1 m -55.57 -61.56 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -41.49 -67.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.9 tp -53.69 -44.33 69.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -55.26 -40.02 70.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.23 -50.25 61.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.683 ' HB1' HD22 ' A' ' 9' ' ' LEU . . . -54.23 -42.7 70.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.6 tp -48.4 -48.81 36.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -65.79 -46.04 80.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -50.53 -40.17 51.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.6 m -52.31 116.88 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.808 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -86.35 -29.33 23.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 113' ' ' VAL . 3.0 m-20 -77.84 9.22 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -106.72 142.67 35.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 5.9 tp10 -109.69 149.87 29.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.459 ' HG2' HG12 ' A' ' 96' ' ' VAL . 9.5 tt0 -93.6 113.21 25.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.782 HD12 HG12 ' A' ' 109' ' ' VAL . 9.2 mt -102.07 18.02 21.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.869 HG13 ' OE1' ' A' ' 97' ' ' GLU . 6.6 p -32.32 -30.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.869 ' OE1' HG13 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -48.73 -42.75 36.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -91.94 -23.35 19.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.441 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 26.1 p -52.01 126.32 18.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.588 ' HB3' HD12 ' A' ' 103' ' ' ILE . 11.3 mm-40 -118.43 108.69 15.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.0 mt -117.01 15.43 15.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.93 17.64 14.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.798 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -117.41 177.43 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.0 m -44.11 -59.63 2.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -110.5 103.3 53.94 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.564 0.697 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.4 Cg_endo -69.79 143.11 49.69 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.311 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 46.7 p90 -156.66 150.9 25.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.978 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 99' ' ' SER . 41.1 mttm -114.16 124.34 51.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.782 HG12 HD12 ' A' ' 95' ' ' LEU . 90.4 t -89.82 137.94 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -140.67 149.28 42.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.741 ' HB2' HD11 ' A' ' 95' ' ' LEU . 7.1 ttt85 -117.75 121.12 39.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 78.3 mt -72.7 101.96 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.483 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 4.0 t -75.82 119.64 78.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.62 0.724 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 179.79 3.42 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.722 2.281 . . . . 0.0 112.318 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -39.55 -62.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -68.3 -52.12 37.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -39.93 -60.48 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.572 HD23 ' HE2' ' A' ' 92' ' ' PHE . 50.7 tp -56.17 -61.9 2.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.438 ' HA ' HD12 ' A' ' 17' ' ' ILE . 85.4 mt -41.4 -41.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.22 -37.65 83.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 13' ' ' LEU . 49.6 mm-40 -66.59 -42.26 87.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.629 HG22 ' CD1' ' A' ' 27' ' ' TRP . 14.1 mt -67.73 -51.54 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.438 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 3.1 t70 -53.91 -44.07 70.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 p -63.94 -34.1 77.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.97 29.05 73.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -71.95 -41.47 67.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.751 0.31 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.422 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 2.0 m-85 -88.55 143.65 32.45 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.674 0.75 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 148.27 65.06 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.748 2.299 . . . . 0.0 112.334 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.33 -43.34 3.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.509 HD11 HG12 ' A' ' 17' ' ' ILE . 15.5 tp -67.42 102.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.9 m -148.34 147.47 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.629 ' CD1' HG22 ' A' ' 17' ' ' ILE . 98.0 m95 -78.46 116.65 19.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -58.68 -28.34 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.451 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 43.2 p30 -121.26 178.22 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -86.52 -30.86 21.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.4 pt-20 -61.92 -14.83 38.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.595 ' HD3' ' CD1' ' A' ' 27' ' ' TRP . 24.5 mmtm 65.79 34.63 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.52 ' HB2' HD12 ' A' ' 34' ' ' ILE . 6.3 m -97.16 -42.09 8.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.52 HD12 ' HB2' ' A' ' 33' ' ' SER . 4.5 mp -113.17 141.6 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.405 ' CD1' ' CZ3' ' A' ' 27' ' ' TRP . 6.6 p90 -147.1 174.8 11.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 0.4 OUTLIER -127.26 137.03 52.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 108' ' ' LYS . 4.7 tt -116.18 133.88 22.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.6 Cg_endo -69.76 122.58 9.26 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.692 2.262 . . . . 0.0 112.321 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.938 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.624 ' HB1' ' CE3' ' A' ' 78' ' ' TRP . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.805 0.336 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.12 -44.67 45.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.422 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 14.2 tp -66.95 -61.22 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.939 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -48.53 -54.79 13.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.582 ' HD3' ' CZ2' ' A' ' 78' ' ' TRP . 1.0 OUTLIER -42.35 -56.45 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.04 -48.34 11.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.421 ' O ' ' C ' ' A' ' 60' ' ' ALA . 39.7 t-105 -62.27 -63.26 1.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 59' ' ' TRP . . . -36.24 -54.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.598 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.1 Cg_exo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 121.607 0.586 . . . . 0.0 112.377 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.0 Cg_exo -48.0 -41.91 32.53 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.451 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 16.3 m -67.11 -48.56 67.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.624 ' CE3' ' HB1' ' A' ' 53' ' ' ALA . 4.2 m0 -62.2 -55.0 32.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -53.64 -59.05 5.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.5 m -57.1 -50.51 72.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 77' ' ' THR . 0.7 OUTLIER -40.75 -58.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.4 -48.79 71.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -41.63 -42.56 2.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.67 -44.33 74.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 86' ' ' LEU . . . -59.12 -62.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 85' ' ' ALA . 12.9 tp -35.91 -49.34 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -69.85 -45.13 68.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -52.95 -43.86 66.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.1 t -53.24 117.83 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -81.51 -27.34 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 113' ' ' VAL . 88.3 m-20 -77.68 8.43 4.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.572 ' HE2' HD23 ' A' ' 13' ' ' LEU . 4.4 m-85 -121.07 133.93 55.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.449 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.7 tt0 -109.94 141.35 42.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 1.1 tt0 -93.59 113.05 25.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.807 HD11 ' HB2' ' A' ' 111' ' ' ARG . 26.1 mt -97.49 101.99 13.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.451 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.0 OUTLIER -87.67 -35.68 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -51.62 -40.54 60.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -89.49 -17.66 28.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.451 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 9.2 p -59.8 140.88 56.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.773 ' HB3' HD12 ' A' ' 103' ' ' ILE . 41.1 mm-40 -131.54 102.14 5.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.448 HD11 ' NZ ' ' A' ' 108' ' ' LYS . 8.0 mt -117.45 14.83 14.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -117.9 9.6 12.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.796 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -109.12 167.4 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 103' ' ' ILE . 7.7 m -33.87 -55.13 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.528 ' O ' HD11 ' A' ' 103' ' ' ILE . 0.7 OUTLIER -113.99 104.55 54.93 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.629 0.728 . . . . 0.0 110.851 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 54.1 Cg_endo -69.72 147.7 63.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.38 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.45 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 32.3 p90 -166.29 152.03 8.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.528 ' O ' HG22 ' A' ' 37' ' ' ILE . 19.5 mttm -111.42 123.54 50.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.593 HG12 HD12 ' A' ' 95' ' ' LEU . 94.0 t -85.3 146.07 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.512 ' CE2' ' HB2' ' A' ' 94' ' ' GLU . 9.7 m-85 -139.66 167.94 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.807 ' HB2' HD11 ' A' ' 95' ' ' LEU . 8.4 ttt180 -131.26 126.94 36.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 84.4 mt -72.99 102.52 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.078 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.449 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 3.5 t -77.96 127.04 82.9 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.648 0.737 . . . . 0.0 111.132 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -175.71 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.812 0.339 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 92' ' ' PHE . 21.2 ttt-85 -44.27 -67.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -70.57 -49.96 42.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.544 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 76.2 t90 -41.25 -63.7 0.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' GLN . 29.4 tp -56.25 -57.03 13.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.6 mt -42.86 -40.23 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -65.32 -34.39 78.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' LEU . 40.0 mm-40 -71.04 -40.99 71.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.699 HG22 ' CD1' ' A' ' 27' ' ' TRP . 18.4 mt -67.21 -45.44 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -56.76 -44.39 81.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 p -65.87 -37.4 86.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.48 29.89 74.54 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -74.02 -38.28 64.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -88.91 142.1 30.16 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.673 0.749 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 153.45 69.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.282 . . . . 0.0 112.339 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.37 -41.04 2.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.416 HD11 HG12 ' A' ' 17' ' ' ILE . 17.8 tp -72.9 102.23 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.6 m -146.87 148.38 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.699 ' CD1' HG22 ' A' ' 17' ' ' ILE . 99.8 m95 -77.5 116.25 17.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -58.36 -29.7 66.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.441 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 35.0 p30 -120.95 176.47 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -84.35 -31.39 24.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.441 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.9 pt-20 -61.47 -13.92 24.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.621 ' CD ' ' CD1' ' A' ' 27' ' ' TRP . 16.7 mmtm 64.78 37.41 7.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.443 ' HB2' HD12 ' A' ' 34' ' ' ILE . 36.6 m -102.96 -37.38 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.443 HD12 ' HB2' ' A' ' 33' ' ' SER . 4.1 mp -115.85 127.6 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.499 ' CG ' HD13 ' A' ' 17' ' ' ILE . 12.0 p90 -131.83 174.62 9.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.491 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 1.7 ptt180 -129.09 136.02 49.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.488 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 2.7 tt -114.22 137.3 22.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.488 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.3 Cg_endo -69.8 117.95 5.39 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.719 2.279 . . . . 0.0 112.292 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.539 ' CD2' ' HD2' ' A' ' 108' ' ' LYS . 4.5 t-105 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.776 0.322 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.49 -32.05 73.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 tp -84.87 -55.2 4.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.581 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 96.6 m-85 -45.36 -49.11 13.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 58' ' ' ALA . 19.6 ptmt -54.32 -50.51 67.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.513 ' N ' ' HG3' ' A' ' 57' ' ' LYS . . . -48.39 -36.7 15.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.544 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 67.4 t-105 -65.99 -46.09 79.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.52 -52.15 54.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.588 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.5 Cg_exo . . . . . 0 C--O 1.232 0.193 0 CA-C-O 121.567 0.57 . . . . 0.0 112.362 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.7 Cg_exo -48.01 -48.93 15.03 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.2 m -62.62 -47.8 82.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.452 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 33.4 m0 -57.02 -43.14 81.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.581 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -66.87 -68.27 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.3 m -42.93 -60.1 1.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 81' ' ' ARG . 2.1 mpt_? -42.03 -52.31 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 83' ' ' ARG . 15.2 tp -64.06 -62.05 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.458 ' CD ' ' HE2' ' A' ' 79' ' ' LYS . 23.4 mtp180 -34.71 -38.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.2 t -69.89 -58.65 3.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -48.78 -49.36 39.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.7 tp -52.57 -41.07 63.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -73.0 -52.35 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -51.6 -50.09 60.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 m -53.84 102.24 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.411 ' C ' ' N ' ' A' ' 92' ' ' PHE . 50.7 t30 -68.96 -43.29 75.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -43.29 -23.72 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.439 ' CZ ' ' HA ' ' A' ' 10' ' ' ARG . 3.2 m-85 -100.59 135.49 41.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.482 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.7 tt0 -109.43 144.68 37.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.556 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 1.0 OUTLIER -100.35 117.73 35.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.918 HD11 ' HB2' ' A' ' 111' ' ' ARG . 18.5 mt -101.67 102.03 12.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.458 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.1 OUTLIER -88.17 -33.89 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -49.98 -39.15 40.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' A' ' 98' ' ' ARG . 5.9 mtt180 -91.29 -14.94 29.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.458 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 34.7 p -60.03 137.09 58.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.503 ' HB2' ' CE2' ' A' ' 107' ' ' TYR . 28.4 mm-40 -125.95 103.67 7.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.1 mt -109.3 -14.25 14.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -89.6 17.81 6.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.52 HD11 ' CE2' ' A' ' 107' ' ' TYR . 11.6 pt -112.85 157.49 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 103' ' ' ILE . 23.2 t -35.93 -43.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 3.1 m-20 -121.19 101.99 43.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.615 0.721 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 54.5 Cg_endo -69.7 140.74 43.63 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.345 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.52 ' CE2' HD11 ' A' ' 103' ' ' ILE . 44.8 p90 -158.03 148.77 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.539 ' HD2' ' CD2' ' A' ' 39' ' ' TRP . 14.9 mttm -107.92 127.04 53.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.476 HG12 HD12 ' A' ' 95' ' ' LEU . 97.2 t -88.49 145.66 7.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 94' ' ' GLU . 11.3 m-85 -136.43 168.23 19.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.918 ' HB2' HD11 ' A' ' 95' ' ' LEU . 6.6 ttt85 -135.87 126.15 26.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 94.2 mt -76.43 102.68 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 2.5 t -74.34 126.18 89.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 111.134 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 179.98 3.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.402 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 tp . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.819 0.343 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -42.38 -63.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -70.17 -49.85 46.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.569 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 79.9 t90 -41.76 -60.8 1.25 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.478 ' HG ' HD11 ' A' ' 17' ' ' ILE . 54.6 tp -53.88 -58.02 8.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.417 ' HA ' HD12 ' A' ' 17' ' ' ILE . 60.1 mt -42.95 -43.66 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.106 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -60.82 -40.16 91.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -65.79 -44.86 84.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.561 HG22 ' NE1' ' A' ' 27' ' ' TRP . 14.4 mt -64.19 -42.24 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -63.13 -53.75 48.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 p -52.03 -31.7 31.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.5 30.31 76.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -75.01 -39.46 61.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.456 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 2.4 m-85 -90.23 139.78 27.1 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.672 0.749 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 149.99 67.61 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.246 . . . . 0.0 112.395 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.89 -46.17 3.64 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.4 tp -64.08 101.97 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.5 m -144.74 146.72 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.095 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.61 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 97.1 m95 -77.68 114.3 16.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.22 -31.22 69.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.462 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 41.3 p30 -121.67 145.23 48.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 31.8 mt-10 -57.28 -35.55 69.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.462 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 8.4 pt-20 -52.42 -15.03 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.61 ' HD3' ' CD1' ' A' ' 27' ' ' TRP . 13.3 mmtp 63.92 35.19 11.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.5 m -104.32 -37.54 7.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.445 HD12 ' ND2' ' A' ' 29' ' ' ASN . 19.1 mt -113.15 145.36 19.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -150.67 174.65 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.577 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 0.5 OUTLIER -127.23 136.17 51.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 108' ' ' LYS . 10.8 tt -113.76 132.1 22.76 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.734 . . . . 0.0 111.099 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 112.3 3.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.371 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.79 0.328 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -34.41 -43.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.077 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 10.2 tp -73.89 -67.89 0.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.577 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 89.2 m-85 -42.23 -53.99 3.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.538 ' HG3' ' CE2' ' A' ' 78' ' ' TRP . 59.3 tttt -55.33 -58.77 6.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -39.32 -55.08 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.569 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 57.5 t-105 -49.58 -50.26 43.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.5 76.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.079 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.42 HD11 ' HE2' ' A' ' 57' ' ' LYS . 14.6 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.597 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.3 Cg_exo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 121.594 0.581 . . . . 0.0 112.345 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 63.9 Cg_exo -47.93 -49.14 14.43 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.458 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 88.6 m -60.53 -47.41 86.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.573 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 14.5 m0 -61.75 -54.2 45.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.577 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 24.4 ttmt -57.33 -55.9 28.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.9 m -57.38 -48.41 79.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 77' ' ' THR . 2.4 mmp_? -50.75 -56.49 11.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 38.7 tp -63.63 -41.3 98.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -52.26 -49.8 63.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.82 -44.01 97.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.51 -51.69 68.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.1 tp -45.03 -40.76 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -77.55 -46.53 22.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -53.22 -42.9 66.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.5 p -54.63 111.11 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -74.94 -30.14 61.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.1 m-20 -75.61 10.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.414 ' HE2' HD23 ' A' ' 13' ' ' LEU . 5.7 m-85 -124.94 133.83 52.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.475 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.5 tt0 -110.38 136.57 49.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 110' ' ' TYR . 0.8 OUTLIER -88.0 112.14 22.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.856 HD11 ' HB2' ' A' ' 111' ' ' ARG . 29.6 mt -96.57 102.04 13.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.476 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.0 OUTLIER -89.01 -34.25 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -51.08 -40.92 59.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -89.89 -14.3 34.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.476 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 21.7 p -61.38 129.94 43.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.91 ' HB3' HD12 ' A' ' 103' ' ' ILE . 10.6 mm-40 -122.1 102.0 7.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.1 mt -118.02 10.47 13.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -112.11 5.06 18.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.91 HD12 ' HB3' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -105.02 168.0 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 103' ' ' ILE . 29.9 m -32.03 -59.39 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.544 ' O ' HD11 ' A' ' 103' ' ' ILE . 10.0 m-20 -111.68 105.46 56.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.4 Cg_endo -69.73 149.35 66.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.279 . . . . 0.0 112.314 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.577 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 44.8 p90 -167.45 153.78 7.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.594 ' O ' HG22 ' A' ' 37' ' ' ILE . 63.4 mttt -112.2 126.58 55.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.504 HG12 HD12 ' A' ' 95' ' ' LEU . 89.5 t -89.07 148.47 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 94' ' ' GLU . 8.7 m-85 -140.57 170.64 15.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.856 ' HB2' HD11 ' A' ' 95' ' ' LEU . 12.4 ttt180 -135.16 124.62 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 79.3 mt -71.11 104.0 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 91' ' ' ASP . 5.0 t -80.06 122.68 83.34 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -174.94 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.272 . . . . 0.0 112.355 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 10' ' ' ARG . 8.4 tp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.784 0.326 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 9' ' ' LEU . 3.3 tmt_? -35.8 -66.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' TRP . 3.6 tp-100 -71.86 -53.77 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.424 ' C ' ' O ' ' A' ' 11' ' ' GLN . 91.5 t90 -36.58 -61.52 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 16' ' ' GLN . 39.5 tp -52.96 -60.74 2.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.3 mt -42.08 -42.82 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.44 -38.63 81.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.462 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 40.7 mm-40 -68.8 -43.31 75.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.577 HG22 ' NE1' ' A' ' 27' ' ' TRP . 20.1 mt -66.01 -51.66 57.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -52.44 -47.52 66.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.1 p -62.43 -34.57 77.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.9 27.57 71.44 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -72.39 -37.88 68.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.5 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 2.7 m-85 -87.57 141.81 32.43 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.725 0.774 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 147.16 62.44 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.689 2.259 . . . . 0.0 112.299 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.13 -38.49 2.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.3 tp -69.87 108.06 3.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 110.945 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.5 m -156.41 149.73 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.629 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 89.5 m95 -77.83 121.16 23.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -63.88 -26.21 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.449 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 33.4 p30 -124.44 168.07 13.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.13 -30.07 49.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.449 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.2 pt-20 -57.35 -13.58 3.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.629 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 2.2 mmmm 63.01 35.21 13.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.1 m -106.19 -37.39 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.429 HD12 ' ND2' ' A' ' 29' ' ' ASN . 19.7 mt -111.58 140.6 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.153 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.423 ' CG ' HD13 ' A' ' 17' ' ' ILE . 22.6 p90 -145.43 166.72 24.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.545 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 0.9 OUTLIER -121.47 134.12 55.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.462 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 7.7 tt -115.32 136.13 22.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.462 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 54.1 Cg_endo -69.76 113.16 3.28 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.38 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.797 0.332 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.62 -42.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.5 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 29.2 tp -71.89 -60.66 2.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -51.0 -59.26 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.401 ' HG3' ' CE3' ' A' ' 78' ' ' TRP . 19.5 mtpp -52.07 -58.68 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -38.11 -43.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -55.68 -55.91 26.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.82 -61.6 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.596 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 66.0 Cg_exo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 121.613 0.589 . . . . 0.0 112.334 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.0 Cg_exo -47.93 -27.46 8.73 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.659 2.239 . . . . 0.0 112.373 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.8 m -81.71 -47.09 13.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.472 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 6.2 m0 -63.58 -51.1 66.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -56.13 -53.86 52.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.485 ' HA ' ' CD ' ' A' ' 83' ' ' ARG . 62.2 m -59.99 -38.45 82.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -60.91 -61.59 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.8 tp -56.5 -62.42 1.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.487 ' HG3' ' N ' ' A' ' 84' ' ' CYS . 8.9 ptm180 -39.3 -41.7 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.487 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 9.7 m -61.87 -53.6 53.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.15 -38.57 83.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.7 tp -56.2 -40.85 74.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -81.7 -47.34 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -51.66 -42.9 62.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.4 p -52.11 104.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -63.68 -27.91 69.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.33 11.41 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -125.7 140.26 52.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.471 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 3.1 tt0 -116.74 141.63 47.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.542 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 2.4 tt0 -96.9 115.52 27.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.762 HD12 HG12 ' A' ' 109' ' ' VAL . 13.1 mt -98.9 101.95 13.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 96' ' ' VAL . 0.1 OUTLIER -86.55 -42.62 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.849 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -43.64 -35.96 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -93.34 -22.73 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 m -54.39 131.47 42.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 23.0 mm-40 -125.39 109.33 12.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.4 mt -115.06 -13.78 11.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -88.97 13.58 12.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.45 ' O ' ' C ' ' A' ' 104' ' ' SER . 49.7 pt -109.84 156.35 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 103' ' ' ILE . 46.4 t -33.69 -51.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.403 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 22.8 t0 -114.42 101.97 54.53 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.618 0.723 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 54.2 Cg_endo -69.69 148.44 65.52 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.361 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.545 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 30.5 p90 -164.94 152.15 11.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -111.28 133.23 53.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.762 HG12 HD12 ' A' ' 95' ' ' LEU . 52.9 t -97.51 135.41 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.542 ' CE2' ' HB2' ' A' ' 94' ' ' GLU . 12.6 m-85 -131.02 152.99 49.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.647 ' HB2' HD11 ' A' ' 95' ' ' LEU . 10.4 ttt85 -116.25 127.81 55.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 92.9 mt -73.18 102.8 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 4.7 t -79.71 127.34 78.14 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.635 0.731 . . . . 0.0 111.129 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -178.1 2.19 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.9 tp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.78 0.324 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.5 ' O ' HD12 ' A' ' 14' ' ' ILE . 19.2 tpt85 -37.85 -68.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -79.83 -44.77 19.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.425 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 88.8 t90 -41.42 -65.69 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 16' ' ' GLN . 52.2 tp -54.68 -61.88 2.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.848 ' HA ' HD12 ' A' ' 17' ' ' ILE . 92.5 mt -40.71 -40.34 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -64.34 -39.46 93.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 13' ' ' LEU . 45.9 mm-40 -63.89 -36.68 84.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 14' ' ' ILE . 7.2 mt -68.94 -49.72 60.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -53.03 -56.28 17.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.8 p -52.46 -33.05 42.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.65 30.58 77.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.544 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -75.04 -39.46 60.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.545 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 2.7 m-85 -90.71 140.95 26.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.714 0.768 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 150.26 67.96 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.634 2.223 . . . . 0.0 112.353 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.17 -32.41 3.03 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.539 ' CD1' ' CE1' ' A' ' 35' ' ' PHE . 13.2 tp -77.77 104.56 8.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.9 m -155.13 145.72 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.623 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 85.4 m95 -77.51 124.84 28.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -68.81 -26.61 65.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.444 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 36.5 p30 -123.16 170.79 9.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.42 -31.79 42.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.444 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.0 pt-20 -56.29 -13.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.623 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 2.2 mmmp? 62.94 32.01 15.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.0 m -105.85 -37.57 6.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.507 HG23 HD12 ' A' ' 95' ' ' LEU . 74.8 mt -106.73 131.01 57.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.539 ' CE1' ' CD1' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -144.18 163.82 32.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -114.64 132.74 56.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.495 ' HB ' ' CE1' ' A' ' 35' ' ' PHE . 14.3 tt -113.28 133.25 22.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.662 0.744 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 111.09 2.71 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.748 2.299 . . . . 0.0 112.309 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.458 ' CD2' ' HD2' ' A' ' 108' ' ' LYS . 3.2 t-105 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.789 0.328 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.6 -45.28 46.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.545 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 9.5 tp -59.01 -49.0 79.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.778 ' CD1' HD23 ' A' ' 82' ' ' LEU . 95.1 m-85 -61.31 -59.57 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.585 ' HD3' ' CH2' ' A' ' 78' ' ' TRP . 18.3 tptm -40.3 -54.32 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -44.49 -54.49 5.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.425 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 64.6 t-105 -53.06 -54.29 37.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.447 ' CB ' ' CD1' ' A' ' 78' ' ' TRP . . . -42.22 -44.08 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.584 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.9 Cg_exo . . . . . 0 N--CA 1.465 -0.162 0 CA-C-O 121.596 0.582 . . . . 0.0 112.364 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.0 Cg_exo -48.02 -38.41 31.7 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.695 2.264 . . . . 0.0 112.35 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.941 HG22 ' HD3' ' A' ' 81' ' ' ARG . 2.2 m -74.62 -48.21 27.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.585 ' CH2' ' HD3' ' A' ' 57' ' ' LYS . 12.5 m0 -53.4 -44.05 68.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -63.34 -43.88 96.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.931 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.5 m -65.48 -54.97 20.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.156 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.941 ' HD3' HG22 ' A' ' 77' ' ' THR . 2.4 mpt_? -51.49 -17.98 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.778 HD23 ' CD1' ' A' ' 56' ' ' PHE . 21.8 tp -94.81 -43.06 8.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.446 ' HG2' ' CH2' ' A' ' 39' ' ' TRP . 49.5 mtt180 -66.69 -40.74 88.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 81' ' ' ARG . 7.4 p -48.59 -52.61 22.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.35 -48.75 63.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.1 tp -42.91 -37.9 2.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -79.43 -45.8 18.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -51.24 -35.9 39.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.4 m -52.24 114.46 1.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -86.51 -28.35 23.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 113' ' ' VAL . 24.7 m-20 -78.02 10.0 3.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -106.33 140.2 39.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.7 tt0 -109.83 149.4 29.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.548 ' HG2' HG12 ' A' ' 96' ' ' VAL . 10.5 tt0 -96.77 110.45 22.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.76 HD12 HG12 ' A' ' 109' ' ' VAL . 14.3 mt -96.58 18.0 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.548 HG12 ' HG2' ' A' ' 94' ' ' GLU . 7.0 p -33.09 -33.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 95' ' ' LEU . 73.1 mt-10 -46.8 -44.41 19.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -90.16 -22.83 21.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.411 ' HB2' ' HA ' ' A' ' 108' ' ' LYS . 54.2 p -52.1 144.92 11.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.451 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 9.0 mm-40 -128.2 107.87 10.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.6 mt -115.93 15.38 16.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -118.03 17.52 14.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.797 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -117.09 172.1 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.7 m -39.62 -59.49 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.42 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 58.8 m-20 -111.53 102.8 54.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.484 ' HA ' HD11 ' A' ' 103' ' ' ILE . 53.7 Cg_endo -69.82 150.82 68.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.651 2.234 . . . . 0.0 112.375 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.451 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 49.9 p90 -161.87 150.47 15.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.458 ' HD2' ' CD2' ' A' ' 39' ' ' TRP . 40.5 mttm -112.35 122.31 47.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.76 HG12 HD12 ' A' ' 95' ' ' LEU . 57.3 t -87.37 132.2 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -132.41 151.3 51.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.749 ' HB2' HD11 ' A' ' 95' ' ' LEU . 13.6 ttt180 -120.82 118.74 30.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 88.2 mt -70.51 102.09 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 91' ' ' ASP . 2.9 t -76.3 127.56 84.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 0.0 111.12 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -177.09 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.513 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 5.0 tp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.778 0.323 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -39.37 -64.12 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' TRP . 10.0 tp60 -66.27 -54.58 23.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.576 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 69.9 t90 -37.83 -62.7 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.437 ' N ' ' CE3' ' A' ' 12' ' ' TRP . 48.3 tp -54.13 -63.34 1.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.593 ' HA ' HD12 ' A' ' 17' ' ' ILE . 72.9 mt -41.15 -40.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -64.7 -39.85 94.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 13' ' ' LEU . 50.3 mm-40 -62.71 -42.09 99.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.654 HG22 ' CD1' ' A' ' 27' ' ' TRP . 16.4 mt -63.24 -48.24 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -53.73 -56.23 19.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 p -52.75 -33.94 50.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.96 28.58 70.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -71.87 -38.28 70.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -86.51 140.04 33.8 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.668 0.747 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 136.63 33.48 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.56 -36.87 3.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 tp -72.97 105.11 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.4 m -153.59 147.05 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.654 ' CD1' HG22 ' A' ' 17' ' ' ILE . 87.6 m95 -78.2 122.41 25.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -65.68 -26.78 67.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.53 ' ND2' HD12 ' A' ' 34' ' ' ILE . 24.9 p30 -123.12 178.19 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -85.92 -30.75 22.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.462 ' CG ' ' ND2' ' A' ' 29' ' ' ASN . 7.7 pt-20 -55.44 -16.98 4.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.654 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 4.1 mmmm 64.56 36.88 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.4 p -111.0 -33.84 6.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.53 HD12 ' ND2' ' A' ' 29' ' ' ASN . 18.1 mt -110.43 139.03 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -150.63 172.66 15.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -124.36 136.63 54.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.686 HG22 ' O ' ' A' ' 108' ' ' LYS . 10.0 tt -113.58 132.55 22.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.639 0.733 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD2' HG13 ' A' ' 37' ' ' ILE . 54.0 Cg_endo -69.81 115.9 4.32 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.406 ' O ' ' HB2' ' A' ' 106' ' ' PRO . 1.4 t-105 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.807 0.337 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -34.5 -54.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.8 tp -57.71 -64.71 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -45.22 -58.37 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.563 ' HD2' ' CH2' ' A' ' 78' ' ' TRP . 72.9 tttt -48.48 -52.51 21.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.43 -48.58 13.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.576 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 28.9 t-105 -53.16 -61.03 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -42.53 -57.49 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.091 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.587 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.3 Cg_exo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 121.563 0.568 . . . . 0.0 112.34 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.0 Cg_exo -48.01 -56.63 2.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.26 . . . . 0.0 112.356 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.6 m -53.65 -45.88 70.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.581 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 21.1 m0 -62.04 -56.29 20.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -52.35 -61.03 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.8 m -49.58 -50.02 44.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -47.8 -64.84 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.9 tp -55.48 -54.35 44.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.405 ' HG2' ' CH2' ' A' ' 39' ' ' TRP . 43.6 mtp180 -40.44 -44.57 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.86 -48.5 71.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' LEU . . . -55.38 -62.33 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' ALA . 23.2 tp -34.1 -52.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -65.58 -47.61 75.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -51.73 -39.04 57.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.5 t -52.26 116.39 2.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -85.97 -31.21 22.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -76.02 7.26 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -114.13 139.47 49.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 0.7 OUTLIER -112.03 150.98 29.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.514 ' HG3' ' CZ ' ' A' ' 110' ' ' TYR . 4.1 tt0 -94.39 126.46 39.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.939 HD12 HG12 ' A' ' 109' ' ' VAL . 66.8 mt -105.97 20.72 18.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.549 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.1 OUTLIER -31.98 -35.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 95' ' ' LEU . 17.5 mt-10 -47.22 -45.17 23.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -89.33 -17.87 28.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.549 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 33.7 p -52.05 147.79 6.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.924 ' HB3' HD12 ' A' ' 103' ' ' ILE . 37.7 mm-40 -135.85 102.1 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.0 mt -113.99 11.07 17.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -116.67 18.04 15.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.924 HD12 ' HB3' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -117.27 172.83 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 103' ' ' ILE . 5.3 m -34.92 -60.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -113.89 107.9 51.81 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.584 0.706 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.485 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.6 Cg_endo -69.79 149.76 67.1 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 100' ' ' GLN . 49.0 p90 -168.3 154.29 7.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.978 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.686 ' O ' HG22 ' A' ' 37' ' ' ILE . 45.6 mttm -116.35 126.0 52.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.939 HG12 HD12 ' A' ' 95' ' ' LEU . 42.5 t -90.48 143.45 11.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.514 ' CZ ' ' HG3' ' A' ' 94' ' ' GLU . 11.7 m-85 -137.32 158.95 43.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.568 ' HB2' HD11 ' A' ' 95' ' ' LEU . 13.1 ttt180 -124.56 122.22 36.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.9 mt -74.39 105.88 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 3.5 t -77.75 123.42 86.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.64 0.733 . . . . 0.0 111.134 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -174.38 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.741 2.294 . . . . 0.0 112.359 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.568 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 4.8 tp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.795 0.331 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.7 tpt85 -42.87 -66.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -76.88 -46.54 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.8 t90 -40.62 -67.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.693 HD21 ' CZ ' ' A' ' 35' ' ' PHE . 24.3 tp -51.35 -62.39 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 93.2 mt -35.8 -48.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -49.37 -50.27 40.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.475 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 10.7 mm-40 -61.21 -55.47 31.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.736 HD13 ' CD1' ' A' ' 35' ' ' PHE . 20.0 mt -47.79 -41.45 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.54 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 4.7 t0 -72.02 -66.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.434 ' HB2' ' CG ' ' A' ' 21' ' ' LYS . 9.1 p -42.77 -28.13 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.17 32.41 60.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' CG ' ' HB2' ' A' ' 19' ' ' SER . 25.8 mtmt -73.35 -36.82 66.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.576 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 14.9 m-85 -86.32 139.61 34.12 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.688 0.756 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.52 50.98 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.88 -48.52 3.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.457 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -66.91 121.83 16.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.642 ' N ' HD22 ' A' ' 25' ' ' LEU . 33.5 m -162.72 169.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.689 ' CD1' HG22 ' A' ' 17' ' ' ILE . 96.9 m95 -92.63 122.04 34.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' ILE . 8.0 mt-10 -59.98 -29.73 68.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.448 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 33.9 p30 -125.34 175.95 7.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -82.14 -31.97 30.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 11.7 pt-20 -61.19 -14.06 22.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.655 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 18.9 mmtm 65.08 35.79 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.2 t -100.04 -41.42 7.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.9 mp -114.0 109.96 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.736 ' CD1' HD13 ' A' ' 17' ' ' ILE . 20.8 p90 -117.32 162.07 18.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.432 ' HB2' ' CD2' ' A' ' 107' ' ' TYR . 1.0 OUTLIER -123.97 129.09 50.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.655 HD11 ' CD2' ' A' ' 55' ' ' LEU . 11.6 tt -111.82 135.9 21.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.637 0.732 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.2 Cg_endo -69.75 115.83 4.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.434 ' O ' ' HG2' ' A' ' 106' ' ' PRO . 3.4 t-105 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.809 0.337 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.69 -37.97 74.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.655 ' CD2' HD11 ' A' ' 37' ' ' ILE . 5.4 tp -73.96 -50.24 20.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CD1' HD23 ' A' ' 82' ' ' LEU . 62.8 m-85 -59.35 -50.05 75.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.475 ' HD2' ' CH2' ' A' ' 78' ' ' TRP . 65.1 tttt -53.15 -51.04 63.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -43.68 -39.99 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 9' ' ' LEU . 44.5 t-105 -53.47 -63.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.54 -66.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.09 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.428 HD12 ' HG2' ' A' ' 57' ' ' LYS . 15.1 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.599 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.4 Cg_exo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 121.604 0.585 . . . . 0.0 112.374 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.3 Cg_exo -47.99 -31.71 16.48 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.32 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.3 m -76.67 -48.52 18.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.158 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.523 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 9.2 m0 -61.68 -47.37 85.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -57.8 -56.06 26.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.0 m -59.87 -57.46 12.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.0 mmt-85 -39.5 -64.6 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 83' ' ' ARG . 61.5 tp -60.78 -63.97 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 82' ' ' LEU . 29.6 ttt180 -35.09 -62.18 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.6 t -38.56 -62.17 0.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 87' ' ' ASN . . . -48.33 -62.09 1.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 85' ' ' ALA . 28.9 tp -33.48 -34.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ALA . 16.8 t-20 -81.4 -56.69 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -50.53 -45.98 57.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.2 m -52.07 115.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' PHE . 33.8 m120 -82.17 -37.88 25.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.8 p30 -38.42 -29.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 90' ' ' ASN . 17.4 m-30 -101.49 153.53 19.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.428 ' HB2' HG22 ' A' ' 113' ' ' VAL . 1.2 tp10 -112.76 150.54 31.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -83.06 108.77 16.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.753 HD12 HG12 ' A' ' 109' ' ' VAL . 23.8 mt -97.22 17.98 16.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 95' ' ' LEU . 10.0 p -35.72 -28.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 95' ' ' LEU . 48.8 mt-10 -48.28 -43.8 33.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -91.77 -18.74 23.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.2 m -52.52 131.38 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 14.6 mm-40 -123.53 105.01 9.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.3 mt -106.15 -11.27 16.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -92.15 17.98 8.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 104' ' ' SER . 33.3 pt -113.28 161.5 12.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 103' ' ' ILE . 8.1 t -37.08 -53.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -114.77 102.0 54.65 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.65 0.738 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 54.0 Cg_endo -69.7 148.06 64.63 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.373 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.441 ' HA ' ' O ' ' A' ' 37' ' ' ILE . 47.9 p90 -161.98 148.05 13.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.961 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -109.77 123.65 49.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.753 HG12 HD12 ' A' ' 95' ' ' LEU . 44.9 t -92.5 146.59 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -144.33 148.43 34.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.75 ' HB2' HD11 ' A' ' 95' ' ' LEU . 8.4 ttt180 -114.07 122.91 48.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 79.0 mt -71.17 102.04 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.428 HG22 ' HB2' ' A' ' 93' ' ' GLU . 2.5 t -72.3 121.83 85.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.7 . . . . 0.0 111.149 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -175.32 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.421 HD22 ' HB1' ' A' ' 85' ' ' ALA . 8.1 tp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.819 0.343 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.3 ttt-85 -45.15 -67.04 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' TRP . 3.9 tp60 -60.8 -62.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.559 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 81.7 t90 -36.23 -56.8 0.75 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.2 tp -57.3 -57.17 13.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.542 ' HA ' HD12 ' A' ' 17' ' ' ILE . 57.6 mt -47.26 -41.35 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -61.35 -36.73 81.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -66.74 -41.3 88.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 14' ' ' ILE . 9.5 mt -68.66 -49.17 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -51.46 -47.21 63.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.4 p -59.61 -34.61 72.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.827 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.29 26.41 70.55 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.442 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -71.73 -39.73 69.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.441 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 2.9 m-85 -88.99 142.26 30.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.718 0.771 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 153.35 68.95 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.346 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.71 -39.73 2.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.48 ' HG ' HG23 ' A' ' 17' ' ' ILE . 13.9 tp -69.84 104.67 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.8 m -153.32 149.65 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.626 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 96.8 m95 -77.35 119.36 20.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -59.41 -28.07 66.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.456 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 30.9 p30 -122.45 178.03 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -87.45 -27.94 22.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.456 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 8.9 pt-20 -62.22 -13.04 23.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.626 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 4.3 mmmm 64.19 38.06 8.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.8 m -104.79 -38.01 6.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.413 HD12 HD21 ' A' ' 29' ' ' ASN . 4.4 mp -114.92 142.19 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -147.44 173.61 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -129.42 135.48 48.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.457 HG13 ' HD2' ' A' ' 38' ' ' PRO . 12.3 tt -115.87 134.17 22.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.727 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.9 Cg_endo -69.7 110.35 2.52 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.721 2.281 . . . . 0.0 112.314 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.805 0.336 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.23 97.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.441 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 13.9 tp -71.31 -50.3 33.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 97.1 m-85 -54.99 -42.55 72.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.553 ' HD3' ' CZ2' ' A' ' 78' ' ' TRP . 2.3 mmmp? -51.31 -64.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -43.31 -36.55 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.642 ' CG ' HD13 ' A' ' 82' ' ' LEU . 72.9 t-105 -69.26 -48.21 62.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.69 99.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.585 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.8 Cg_exo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 121.554 0.564 . . . . 0.0 112.34 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 64.5 Cg_exo -47.94 -47.42 19.04 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.1 m -59.41 -47.62 84.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.553 ' CZ2' ' HD3' ' A' ' 57' ' ' LYS . 10.0 m0 -64.18 -58.24 7.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.564 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 28.0 tttm -49.08 -46.18 44.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.1 m -65.23 -58.15 6.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 21.2 mmt-85 -40.35 -52.09 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.642 HD13 ' CG ' ' A' ' 59' ' ' TRP . 27.1 tp -72.6 -50.18 27.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 83' ' ' ARG . 15.8 ttt180 -44.88 -43.83 9.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.1 t -63.58 -46.53 85.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.421 ' HB1' HD22 ' A' ' 9' ' ' LEU . . . -58.54 -44.09 89.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.4 tp -53.24 -38.49 63.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -81.58 -45.02 16.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -55.79 -39.42 71.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.2 p -52.01 118.0 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -80.3 -26.69 38.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 113' ' ' VAL . 0.3 OUTLIER -81.29 16.12 1.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -121.93 139.31 53.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -109.87 149.23 30.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -91.14 111.75 23.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.819 HD12 HG12 ' A' ' 109' ' ' VAL . 15.9 mt -101.64 17.98 21.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 95' ' ' LEU . 6.9 p -34.47 -32.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 95' ' ' LEU . 30.8 mt-10 -49.61 -43.55 46.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -86.49 -25.26 25.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 p -51.95 131.41 31.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 7.8 mm-40 -118.66 103.28 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.431 HD11 ' NZ ' ' A' ' 108' ' ' LYS . 7.5 mt -104.22 -11.34 17.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -90.94 13.19 17.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 104' ' ' SER . 46.4 pt -109.52 161.06 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 103' ' ' ILE . 2.8 m -36.41 -56.0 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -111.35 101.97 51.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 54.0 Cg_endo -69.75 145.87 58.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -159.36 147.03 17.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.431 ' NZ ' HD11 ' A' ' 101' ' ' LEU . 12.6 mttm -107.46 128.95 54.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.819 HG12 HD12 ' A' ' 95' ' ' LEU . 31.3 t -98.0 141.34 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -142.6 148.05 36.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.63 ' HB2' HD11 ' A' ' 95' ' ' LEU . 6.1 ttt180 -112.43 124.62 52.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.8 mt -71.85 102.25 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 91' ' ' ASP . 3.4 t -77.7 122.74 86.18 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.555 0.693 . . . . 0.0 111.159 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -172.15 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.804 0.335 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -39.88 -65.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -64.39 -52.74 56.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.459 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 88.6 t90 -39.99 -63.22 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 16' ' ' GLN . 47.5 tp -53.62 -62.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.788 ' HA ' HD12 ' A' ' 17' ' ' ILE . 72.3 mt -40.74 -40.73 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.75 -38.9 89.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 13' ' ' LEU . 56.7 mm-40 -65.18 -38.59 90.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.788 HD12 ' HA ' ' A' ' 14' ' ' ILE . 11.0 mt -66.96 -49.55 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -52.71 -51.54 59.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 p -56.13 -36.42 68.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.86 28.12 73.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -71.18 -40.74 71.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -89.22 143.18 30.63 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.681 0.753 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 152.75 69.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.634 2.222 . . . . 0.0 112.38 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.5 -42.52 2.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.0 tp -64.48 102.18 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.5 m -149.69 145.6 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.628 ' CD1' ' CD ' ' A' ' 32' ' ' LYS . 97.6 m95 -77.97 117.86 19.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.93 -27.38 65.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.455 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 41.4 p30 -123.25 178.01 5.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -85.71 -33.54 21.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.455 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 10.4 pt-20 -59.43 -14.08 10.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.628 ' CD ' ' CD1' ' A' ' 27' ' ' TRP . 23.0 mmtm 64.47 35.52 9.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.492 ' HB2' HD12 ' A' ' 34' ' ' ILE . 12.2 m -97.91 -39.92 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' ' 33' ' ' SER . 4.3 mp -115.59 141.96 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -146.2 174.53 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.82 136.25 50.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.503 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 5.2 tt -113.98 137.22 22.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.726 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.503 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.9 Cg_endo -69.75 113.49 3.39 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.804 0.335 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.84 85.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.3 tp -75.23 -44.94 43.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.531 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 68.9 m-85 -58.81 -54.88 42.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.554 ' HD2' ' CH2' ' A' ' 78' ' ' TRP . 24.1 tttm -45.85 -57.87 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' TRP . . . -44.49 -55.19 5.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.459 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 29.3 t-105 -37.4 -59.71 0.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.06 -66.35 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.594 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.5 Cg_exo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 121.587 0.578 . . . . 0.0 112.325 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.1 Cg_exo -47.98 -54.64 4.94 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.727 2.285 . . . . 0.0 112.346 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.5 m -57.0 -45.39 83.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.208 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.554 ' CH2' ' HD2' ' A' ' 57' ' ' LYS . 36.3 m0 -60.88 -57.1 14.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.531 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 12.6 ttmm -56.02 -55.71 29.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.0 m -52.71 -55.21 24.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.5 mmt-85 -43.11 -60.93 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.483 HD23 ' CE1' ' A' ' 56' ' ' PHE . 34.7 tp -62.61 -60.0 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -38.93 -44.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.1 t -65.6 -55.42 17.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.22 -43.47 64.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.0 tp -53.79 -42.37 68.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -74.15 -52.01 13.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -51.88 -46.82 64.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 m -53.48 102.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -68.17 -38.9 82.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.52 -18.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -101.54 140.14 36.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.485 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 0.6 OUTLIER -112.99 147.71 36.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.527 ' HG3' ' CZ ' ' A' ' 110' ' ' TYR . 4.0 tt0 -88.97 127.4 35.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.95 HD12 HG12 ' A' ' 109' ' ' VAL . 64.5 mt -105.75 22.89 14.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.462 ' C ' ' O ' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -31.99 -35.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 179.849 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 95' ' ' LEU . 11.9 mt-10 -47.07 -45.45 21.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -90.29 -19.43 24.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.443 ' HB2' ' HA ' ' A' ' 96' ' ' VAL . 14.2 m -52.08 137.79 26.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.645 ' HB3' HD12 ' A' ' 103' ' ' ILE . 32.7 mm-40 -128.39 104.93 7.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.3 mt -114.55 14.56 17.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -117.98 9.56 12.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.853 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.76 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -106.5 172.15 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ILE . 28.0 m -37.1 -57.81 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.477 ' O ' HD11 ' A' ' 103' ' ' ILE . 24.8 t70 -114.73 104.94 53.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.9 Cg_endo -69.69 140.64 43.43 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.692 2.262 . . . . 0.0 112.352 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -157.81 147.94 20.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.47 ' O ' HG22 ' A' ' 37' ' ' ILE . 40.5 mttt -107.09 127.06 53.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.95 HG12 HD12 ' A' ' 95' ' ' LEU . 60.6 t -91.69 149.33 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.527 ' CZ ' ' HG3' ' A' ' 94' ' ' GLU . 14.7 m-85 -144.96 152.81 40.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.961 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.569 ' HB2' HD11 ' A' ' 95' ' ' LEU . 12.5 ttt180 -119.28 129.41 54.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.6 mt -80.67 102.06 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.485 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 2.3 t -73.46 123.88 89.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.636 0.731 . . . . 0.0 111.118 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -175.93 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -76.25 -51.45 12.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.387 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -148.22 139.73 23.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.03 60.61 3.05 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -60.46 -58.63 7.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.35 . . . . 0.0 110.849 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 t -109.71 104.51 13.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.69 148.3 43.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.435 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 12' ' ' TRP . 13.0 tppt? -165.31 157.44 15.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.542 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 6.9 tp -89.15 -46.25 8.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 9' ' ' LEU . 1.7 tmt_? -35.42 -61.84 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' TRP . 32.3 tp60 -75.6 -56.6 4.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 72.6 t90 -36.81 -61.05 0.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.413 ' N ' ' CE3' ' A' ' 12' ' ' TRP . 33.2 tp -53.09 -56.3 17.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.66 ' HA ' HD12 ' A' ' 17' ' ' ILE . 72.3 mt -46.84 -40.91 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -61.68 -37.27 83.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -65.99 -40.79 91.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 14' ' ' ILE . 7.1 mt -68.99 -50.64 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.518 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 5.2 t0 -56.09 -42.81 77.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.2 p -64.17 -32.74 74.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.799 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.18 28.77 73.94 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.436 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -71.57 -41.87 68.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.534 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 3.5 m-85 -91.47 142.63 27.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.665 0.745 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 154.95 67.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.16 -48.3 3.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.443 HD21 HG13 ' A' ' 17' ' ' ILE . 17.4 tp -63.37 102.05 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.369 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.2 m -141.87 148.45 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.613 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 99.3 m95 -79.4 111.13 15.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -52.18 -29.91 24.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.451 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 39.2 p30 -123.28 177.83 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.47 -30.44 23.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 13.6 pt-20 -60.84 -13.65 16.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.613 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 20.3 mmtm 64.72 33.5 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 m -98.5 -40.43 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -112.57 139.06 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -144.95 174.55 10.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -127.04 137.1 53.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.66 HG22 ' O ' ' A' ' 108' ' ' LYS . 10.2 tt -114.38 130.72 23.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.67 0.748 . . . . 0.0 111.104 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 115.53 4.14 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -110.62 101.97 10.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -125.28 164.86 19.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -146.32 105.01 3.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.71 -63.28 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.31 -35.88 4.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -52.13 170.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.743 0.306 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -111.58 -37.82 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -65.72 -28.0 68.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -54.38 158.48 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -77.11 120.45 22.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -86.78 -47.81 8.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' ARG . 15.4 mm-40 -34.03 -55.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -59.5 -53.45 58.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' OD1' ' C ' ' A' ' 52' ' ' ASP . 6.1 t0 -51.38 -37.92 50.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.39 18.0 22.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.46 -44.3 68.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.069 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.534 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 22.6 tp -87.36 -45.86 10.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -53.43 -50.45 65.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.786 ' HG3' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -48.39 -51.93 24.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.92 -49.64 70.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.567 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 15.6 t-105 -43.48 -58.83 2.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.34 -67.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.786 HD12 ' HG3' ' A' ' 57' ' ' LYS . 9.4 mt -39.42 -38.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -69.64 -56.2 7.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.512 ' HD3' ' CZ3' ' A' ' 59' ' ' TRP . 28.5 mmmt -62.71 -63.17 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.06 -151.55 23.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.531 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -132.63 105.18 7.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -103.0 125.64 49.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.63 102.02 7.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -78.77 116.01 18.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.24 -43.57 1.66 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.2 mt -86.36 -57.92 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 111.125 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.08 133.51 35.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -65.5 120.67 70.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 155.6 65.58 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.534 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 4.1 m-20 -149.27 102.41 3.33 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.548 0.69 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.587 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.2 Cg_exo -47.92 -43.51 29.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.65 2.233 . . . . 0.0 112.358 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.2 Cg_exo -47.97 -49.57 13.6 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.642 2.228 . . . . 0.0 112.3 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 95.4 m -59.04 -46.59 87.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 23.1 m0 -64.38 -58.64 5.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -52.89 -54.37 35.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 84' ' ' CYS . 35.8 m -57.24 -48.34 79.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -56.47 14.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.495 HD13 ' CG ' ' A' ' 59' ' ' TRP . 25.7 tp -66.59 -62.27 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -39.19 -41.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 80' ' ' THR . 3.8 t -69.3 -48.86 60.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.46 -44.57 84.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.7 tp -48.36 -46.64 37.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.38 -44.85 23.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -50.69 -43.69 57.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.9 t -52.58 107.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -68.94 -23.07 64.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.2 p-10 -80.16 12.84 2.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -119.1 138.84 52.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 3.8 tp10 -110.2 150.01 29.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -91.95 110.16 21.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.9 HD12 HG12 ' A' ' 109' ' ' VAL . 34.6 mt -96.27 18.03 14.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.6 p -36.68 -28.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 95' ' ' LEU . 39.2 mt-10 -51.8 -43.92 63.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -91.38 -22.02 20.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.6 p -52.07 140.04 21.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.52 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 9.6 mm-40 -127.21 103.89 7.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.1 mt -111.27 12.34 21.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -117.69 16.75 14.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.687 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -114.57 172.2 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 t -38.87 -59.41 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.562 ' O ' HD11 ' A' ' 103' ' ' ILE . 8.1 t70 -110.56 102.1 50.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.601 0.715 . . . . 0.0 110.913 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 105' ' ' ASP . 53.8 Cg_endo -69.78 149.66 67.07 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.694 2.262 . . . . 0.0 112.329 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -167.7 151.98 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.66 ' O ' HG22 ' A' ' 37' ' ' ILE . 41.0 mttm -111.64 122.77 48.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.9 HG12 HD12 ' A' ' 95' ' ' LEU . 36.3 t -88.98 142.23 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.165 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -142.04 154.69 45.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.964 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.666 ' HB2' HD11 ' A' ' 95' ' ' LEU . 32.3 ttt180 -121.42 124.42 44.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 69.5 mt -74.07 102.21 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 91' ' ' ASP . 3.0 t -78.09 122.47 85.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.711 . . . . 0.0 111.151 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -172.07 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.682 2.254 . . . . 0.0 112.335 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -92.78 -48.84 6.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.5 t -82.35 17.95 1.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -90.26 153.34 22.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.442 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 103.47 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.2 t -48.16 -44.54 32.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.7 p -100.36 162.91 12.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.501 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -119.13 139.55 51.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.912 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.3 p -79.94 112.87 17.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.825 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.16 154.3 7.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 t -93.7 134.31 36.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.838 0.351 . . . . 0.0 110.882 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -53.53 -60.71 2.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.92 110.73 0.23 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -151.39 103.53 3.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tp -81.09 -44.25 18.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ttm105 -41.22 -67.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.468 ' C ' ' CD ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -59.6 -54.1 50.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -39.09 -50.92 1.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.713 ' HG ' HD11 ' A' ' 17' ' ' ILE . 48.3 tp -65.76 -47.37 75.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.515 ' HA ' HD12 ' A' ' 17' ' ' ILE . 88.7 mt -53.64 -39.75 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.02 -41.11 97.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -68.03 -40.07 82.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.713 HD11 ' HG ' ' A' ' 13' ' ' LEU . 11.5 mt -68.71 -44.21 82.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -57.83 -45.6 85.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 p -62.12 -34.95 77.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.84 25.08 71.74 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -68.8 -44.62 73.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -83.23 137.48 42.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.662 0.744 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 146.41 60.71 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.22 -38.73 3.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.1 tp -75.42 101.97 4.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.883 0.373 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.4 m -145.69 151.87 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.59 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 98.3 m95 -78.13 121.34 24.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -67.23 -28.11 67.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.443 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 34.3 p30 -121.61 171.45 8.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -78.57 -33.3 47.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.443 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 13.9 pt-20 -57.36 -12.78 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.59 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 23.3 mmtm 62.29 33.98 16.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.1 t -104.27 -38.03 7.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.6 mt -108.73 140.04 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.406 ' CD1' ' CZ3' ' A' ' 27' ' ' TRP . 9.8 p90 -150.02 174.61 12.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -127.37 134.53 49.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 108' ' ' LYS . 7.0 tt -114.05 135.28 22.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 111.189 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.431 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 54.1 Cg_endo -69.77 116.0 4.35 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.551 ' CE3' ' HD2' ' A' ' 108' ' ' LYS . 2.7 t-105 -112.06 102.0 10.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -136.17 142.46 44.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.428 ' CE1' ' O ' ' A' ' 42' ' ' ALA . 8.4 t60 -84.39 149.1 26.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.428 ' O ' ' CE1' ' A' ' 41' ' ' HIS . . . -87.05 110.34 20.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.04 37.84 0.42 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -140.96 162.59 35.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.731 0.3 . . . . 0.0 110.896 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -92.0 -42.95 9.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.8 1.04 9.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 1.1 p90 -65.22 173.84 2.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -123.04 114.13 19.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.481 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 85.2 mtm-85 -68.21 -51.17 48.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.638 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 75.2 mm-40 -57.39 -47.18 82.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -67.23 -46.21 74.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -58.54 -51.51 69.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.429 ' O ' ' CB ' ' A' ' 57' ' ' LYS . . . -98.16 17.87 17.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 50' ' ' GLU . . . -57.38 -57.25 13.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.9 tp -74.5 -53.67 9.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -48.03 -48.83 32.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.43 ' HD2' ' CZ3' ' A' ' 78' ' ' TRP . 11.4 tptp -46.76 -57.93 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -39.04 -58.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.596 ' CZ2' ' HD2' ' A' ' 63' ' ' LYS . 65.8 t-105 -51.88 -51.62 55.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 57' ' ' LYS . . . -38.85 -32.3 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.085 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 66' ' ' PHE . 9.1 mt -92.25 -32.39 15.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.511 ' CD1' ' CZ3' ' A' ' 59' ' ' TRP . 10.4 t80 -66.53 -64.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.596 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -88.08 -43.41 11.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.89 -32.26 83.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? 58.83 36.07 24.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 68' ' ' GLU . 1.2 t80 -72.67 154.88 40.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.405 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 5.1 ttm-85 -115.58 116.75 28.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 3.2 tp10 -69.39 147.78 50.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.8 -41.72 3.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.2 mt -84.99 -63.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 111.153 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -87.66 147.4 25.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -76.13 122.76 87.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.522 0.677 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 148.55 65.57 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.536 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 22.5 t0 -154.35 102.04 2.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 110.843 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.591 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.5 Cg_exo -47.96 -43.35 30.2 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 64.5 Cg_exo -48.03 -43.32 30.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.357 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.6 m -68.63 -45.26 72.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.086 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.562 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 4.8 m0 -63.52 -58.49 6.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -41.57 -42.61 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 81' ' ' ARG . 90.7 m -76.37 -52.84 9.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.49 ' HA ' ' CZ ' ' A' ' 81' ' ' ARG . 2.2 mmp_? -34.06 -37.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 85' ' ' ALA . 14.7 tp -79.77 -65.27 1.02 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 82' ' ' LEU . 1.6 ptp180 -34.2 -37.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 82' ' ' LEU . 2.8 t -71.89 -49.94 33.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 82' ' ' LEU . . . -56.89 -51.09 70.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.103 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 tp -41.6 -62.46 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -58.13 -42.42 85.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -55.15 -40.09 70.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.2 t -52.05 122.58 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -83.67 -26.64 29.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 113' ' ' VAL . 5.0 m-20 -81.95 16.7 1.78 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -121.52 142.54 49.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.459 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 11.9 tt0 -110.22 147.18 34.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -87.83 108.39 19.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.843 HD12 HG12 ' A' ' 109' ' ' VAL . 22.5 mt -96.16 18.02 14.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 95' ' ' LEU . 12.2 p -37.85 -25.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 95' ' ' LEU . 39.0 mt-10 -54.1 -43.69 70.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -92.17 -22.01 20.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.409 ' HB2' ' HA ' ' A' ' 108' ' ' LYS . 29.5 p -52.0 134.49 32.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.924 ' HB3' HD12 ' A' ' 103' ' ' ILE . 14.4 mm-40 -124.31 103.56 8.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.473 HD21 ' HG3' ' A' ' 108' ' ' LYS . 6.0 mt -115.54 13.39 16.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.71 16.84 14.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.924 HD12 ' HB3' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -115.7 -179.58 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.1 t -41.03 -59.33 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.433 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 74.6 m-20 -114.17 105.55 54.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.7 Cg_endo -69.74 151.63 69.22 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.55 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 49.1 p90 -168.0 156.72 9.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.551 ' HD2' ' CE3' ' A' ' 39' ' ' TRP . 41.6 mttm -117.45 125.17 50.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.843 HG12 HD12 ' A' ' 95' ' ' LEU . 26.5 t -94.05 143.56 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -143.48 158.08 43.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.661 ' HB2' HD11 ' A' ' 95' ' ' LEU . 9.2 ttt180 -124.21 126.29 45.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.454 HD13 HD11 ' A' ' 14' ' ' ILE . 75.8 mt -73.28 102.04 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 91' ' ' ASP . 6.2 t -78.85 125.59 83.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.72 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 179.0 4.05 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -97.6 -50.97 4.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 28.3 p -62.24 143.91 56.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 74.16 151.13 2.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.438 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 134.8 28.84 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.706 2.271 . . . . 0.0 112.365 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.9 t -68.75 151.85 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.2 m -80.09 140.79 36.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -147.64 128.65 14.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.0 p -128.03 158.18 38.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.34 53.03 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.526 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -139.73 154.85 47.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -86.15 -58.43 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.71 -135.2 5.48 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.552 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.455 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -87.79 -62.55 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.805 0.336 . . . . 0.0 110.932 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.721 HD22 ' HB1' ' A' ' 85' ' ' ALA . 6.0 tp -34.57 -54.83 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 9' ' ' LEU . 2.1 tmt_? -35.17 -66.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' TRP . 4.1 tp60 -72.72 -53.15 12.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 90.9 t90 -36.67 -61.32 0.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.9 tp -53.12 -58.12 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.51 ' HA ' HD12 ' A' ' 17' ' ' ILE . 72.5 mt -45.43 -42.02 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -62.3 -36.43 82.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -68.25 -41.13 81.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.542 HG22 ' CD1' ' A' ' 27' ' ' TRP . 16.5 mt -65.99 -44.72 92.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -58.31 -45.43 88.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.9 p -63.82 -34.23 77.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.6 29.0 73.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.442 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -72.14 -40.1 68.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.709 0.29 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 2.9 m-85 -90.11 144.18 30.87 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.659 0.742 . . . . 0.0 110.945 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 151.99 69.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.57 -41.17 2.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.531 HD11 HG12 ' A' ' 17' ' ' ILE . 15.5 tp -65.95 105.73 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.9 m -155.14 147.29 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.59 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 95.8 m95 -77.91 119.54 21.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' HG3' HG22 ' A' ' 34' ' ' ILE . 17.9 mt-10 -61.32 -30.18 70.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.532 ' ND2' HD12 ' A' ' 34' ' ' ILE . 31.3 p30 -121.33 176.46 5.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' N ' ' CD ' ' A' ' 30' ' ' GLU . 20.5 mp0 -83.34 -32.11 26.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.6 pt-20 -57.91 -11.99 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.59 ' HD3' ' CD1' ' A' ' 27' ' ' TRP . 23.4 mmtm 63.62 34.79 12.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.1 t -106.04 -37.03 6.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.532 HD12 ' ND2' ' A' ' 29' ' ' ASN . 28.4 mt -107.52 137.42 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.482 ' O ' HG13 ' A' ' 109' ' ' VAL . 16.4 p90 -148.83 174.42 12.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -132.07 133.95 44.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.4 tt -114.19 134.17 22.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 106.39 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.563 ' CZ2' ' HE3' ' A' ' 79' ' ' LYS . 7.3 t-105 -87.03 17.06 4.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -53.64 160.4 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.0 p80 -105.76 178.16 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.826 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.94 77.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 60.64 -110.61 3.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.59 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -83.96 103.66 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.746 0.308 . . . . 0.0 110.906 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.507 ' C ' ' CD ' ' A' ' 45' ' ' GLN . 2.9 tm0? -45.88 -50.19 14.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.48 ' HB2' ' CD ' ' A' ' 44' ' ' LYS . 3.2 m-20 -45.26 -31.17 1.43 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -58.81 174.97 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -79.06 109.41 13.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.707 ' H ' ' NE ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -99.49 -26.29 14.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.594 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 7.1 tt0 -66.09 -45.79 79.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -75.23 -52.24 11.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.53 -40.82 88.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 49' ' ' ARG . . . -100.01 17.11 21.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 50' ' ' GLU . . . -63.69 -52.36 60.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.566 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 7.4 tp -54.15 -46.51 72.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -57.77 -60.74 3.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.589 ' HG3' ' CE3' ' A' ' 78' ' ' TRP . 21.4 mtpp -47.3 -47.65 25.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 62' ' ' PHE . . . -48.17 -44.22 32.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.592 ' CZ2' ' HE3' ' A' ' 63' ' ' LYS . 31.7 t-105 -67.99 -53.58 24.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.46 -49.32 61.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.08 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.434 HD21 ' HD2' ' A' ' 66' ' ' PHE . 8.5 mt -72.69 -40.48 66.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 58' ' ' ALA . 5.4 t80 -56.83 -57.8 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.592 ' HE3' ' CZ2' ' A' ' 59' ' ' TRP . 1.5 tppp? -73.18 -66.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.41 -156.17 27.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -139.42 108.2 5.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.434 ' HD2' HD21 ' A' ' 61' ' ' LEU . 3.1 t80 -119.62 139.11 52.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.456 ' HG2' HD12 ' A' ' 70' ' ' ILE . 18.2 mtt180 -89.17 120.22 30.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.488 ' C ' ' CD ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -71.84 -57.91 3.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.33 -66.28 1.66 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.463 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.456 HD12 ' HG2' ' A' ' 67' ' ' ARG . 58.6 mt -41.73 -43.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 111.101 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -109.37 157.85 18.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -85.53 135.19 38.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.529 0.681 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 135.4 30.25 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.661 2.24 . . . . 0.0 112.369 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.54 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 5.7 m-20 -139.05 102.01 7.6 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.599 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 66.9 Cg_exo -48.03 -43.31 30.73 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.0 Cg_exo -48.0 -44.78 26.94 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.727 2.284 . . . . 0.0 112.32 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.8 m -60.99 -48.26 82.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.589 ' CE3' ' HG3' ' A' ' 57' ' ' LYS . 6.2 m0 -66.28 -58.49 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.563 ' HE3' ' CZ2' ' A' ' 39' ' ' TRP . 4.3 tmtm? -38.67 -50.49 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 81' ' ' ARG . 91.3 m -68.49 -55.31 12.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 81' ' ' ARG . 2.5 mmp_? -35.82 -56.11 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' ARG . 67.0 tp -67.69 -56.72 8.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' LEU . 50.5 ttt180 -35.28 -47.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.3 t -55.53 -57.78 10.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.721 ' HB1' HD22 ' A' ' 9' ' ' LEU . . . -47.62 -48.34 28.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.8 tp -47.77 -63.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -58.44 -43.58 88.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -53.12 -40.92 64.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.7 t -52.32 124.05 12.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -90.6 -29.25 17.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.1 m-20 -80.32 14.12 2.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -114.89 145.2 42.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -109.82 150.92 27.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -92.48 109.1 20.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.935 HD12 HG12 ' A' ' 109' ' ' VAL . 20.8 mt -96.14 18.09 14.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 95' ' ' LEU . 11.5 p -35.42 -30.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 95' ' ' LEU . 2.1 mp0 -53.24 -43.84 67.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -86.78 -22.84 25.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.406 ' HB2' ' HA ' ' A' ' 96' ' ' VAL . 3.4 m -52.12 133.84 33.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.431 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 29.1 mm-40 -124.59 104.83 8.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.452 HD23 ' HB2' ' A' ' 106' ' ' PRO . 8.4 mt -106.39 -16.17 14.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.12 12.9 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 104' ' ' SER . 33.7 pt -108.47 160.54 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 103' ' ' ILE . 5.5 t -36.28 -55.13 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -112.73 102.02 53.84 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.673 0.749 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.452 ' HB2' HD23 ' A' ' 101' ' ' LEU . 53.9 Cg_endo -69.77 146.01 58.84 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -158.66 148.19 19.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.424 ' HE3' ' CE2' ' A' ' 39' ' ' TRP . 49.7 mttt -107.41 129.97 54.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.935 HG12 HD12 ' A' ' 95' ' ' LEU . 19.3 t -101.04 143.09 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -143.77 152.34 41.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.496 ' HB2' HD11 ' A' ' 95' ' ' LEU . 8.9 ttt180 -118.17 127.44 53.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 77.4 mt -74.24 102.08 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 91' ' ' ASP . 4.3 t -76.98 122.64 86.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.651 0.739 . . . . 0.0 111.104 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -174.27 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.321 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -76.39 177.46 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.0 p -124.86 145.67 49.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -151.64 164.52 30.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.5 45.68 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.627 2.218 . . . . 0.0 112.38 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.4 p -150.96 176.76 10.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.9 m -44.28 -44.27 7.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -96.93 132.63 42.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.862 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.5 m -150.85 143.82 24.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.16 39.73 2.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.434 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.3 m -70.03 143.13 52.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.897 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -101.6 171.4 7.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.81 48.85 0.53 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -84.79 -43.97 13.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.353 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 tp -42.54 -44.95 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.956 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -43.54 -64.67 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -67.75 -53.88 23.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -37.66 -61.17 0.64 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.587 ' HG ' HD11 ' A' ' 17' ' ' ILE . 27.8 tp -53.06 -58.82 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.539 ' HA ' HD12 ' A' ' 17' ' ' ILE . 72.0 mt -42.69 -40.91 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -65.38 -38.72 90.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -68.51 -40.95 80.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.587 HD11 ' HG ' ' A' ' 13' ' ' LEU . 11.8 mt -65.9 -50.41 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -51.55 -45.43 63.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.0 p -63.03 -36.13 82.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.43 25.06 71.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm -70.66 -39.35 73.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.518 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 4.5 m-85 -86.39 138.46 34.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.676 0.751 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 146.77 61.22 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.32 -37.65 3.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.5 tp -76.21 107.49 8.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 0.0 110.937 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.3 m -153.73 151.94 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.637 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 90.9 m95 -77.45 125.2 28.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -65.81 -26.53 67.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.441 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 28.8 p30 -125.03 174.5 7.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -83.47 -25.81 30.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.6 pt-20 -63.08 -11.59 20.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.637 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 2.9 mmmm 62.45 35.57 14.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -105.45 -38.08 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 mt -111.42 143.63 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -149.31 169.6 20.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.05 132.79 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 108' ' ' LYS . 6.9 tt -114.82 134.42 22.44 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.576 0.703 . . . . 0.0 111.11 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.417 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.4 Cg_endo -69.76 112.79 3.17 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.542 ' CD2' ' HD2' ' A' ' 108' ' ' LYS . 3.8 t-105 -104.61 102.02 11.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HG2' ' HG2' ' A' ' 106' ' ' PRO . 27.4 mtpt -137.05 122.83 19.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.565 ' CE1' ' HA3' ' A' ' 43' ' ' GLY . 2.3 p-80 -83.03 170.68 14.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.5 ' O ' ' C ' ' A' ' 43' ' ' GLY . . . -45.04 -42.96 8.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 41' ' ' HIS . . . -29.37 -45.4 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.532 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.438 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -93.86 116.96 29.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.715 0.293 . . . . 0.0 110.95 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -97.97 -47.86 5.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -41.4 -36.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.438 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -52.31 176.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' O ' ' HB2' ' A' ' 52' ' ' ASP . 5.1 m120 -82.94 121.81 27.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.425 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 14.2 mtt180 -98.0 -61.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -57.42 -51.75 68.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -60.89 -52.52 64.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 48' ' ' ASN . 32.0 t0 -59.07 -37.68 77.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . -69.68 -35.76 75.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -37.08 -46.68 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.518 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 14.1 tp -64.5 -67.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.899 ' CD1' HD23 ' A' ' 82' ' ' LEU . 61.7 m-85 -47.62 -59.14 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.491 ' HG3' ' CZ2' ' A' ' 78' ' ' TRP . 78.0 tttt -44.79 -50.17 10.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.03 -40.56 45.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.565 ' CH2' ' HD3' ' A' ' 63' ' ' LYS . 76.5 t-105 -59.04 -41.23 87.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.22 -54.03 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.2 mt -60.15 -41.87 93.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 62' ' ' PHE . 3.9 t80 -65.85 -56.95 9.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.565 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 30.0 mmmt -58.91 -65.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.942 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.14 -147.94 18.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.535 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -134.91 110.51 9.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.485 ' CD1' ' C ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -132.35 157.09 45.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.577 ' HD2' HD12 ' A' ' 70' ' ' ILE . 15.9 mmt180 -121.37 135.62 55.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 69' ' ' GLY . 3.9 pt-20 -91.21 -31.49 16.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.461 ' N ' ' HG3' ' A' ' 68' ' ' GLU . . . -83.47 -38.11 11.26 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.463 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.577 HD12 ' HD2' ' A' ' 67' ' ' ARG . 53.1 mt -81.79 -59.99 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 111.119 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.44 169.94 10.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.78 121.04 60.63 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.554 0.692 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 150.06 67.83 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.544 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 8.8 m-20 -148.8 101.93 3.43 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.586 0.707 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.588 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.8 Cg_exo -47.91 -43.38 29.85 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.713 2.276 . . . . 0.0 112.377 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 64.9 Cg_exo -47.93 -22.26 3.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 35.2 m -87.35 -47.03 9.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.537 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 5.7 m0 -64.24 -53.27 51.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.554 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 32.8 mtpt -48.97 -46.36 43.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.1 m -67.62 -51.8 45.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.423 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 19.0 mmt180 -56.69 -20.38 21.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.899 HD23 ' CD1' ' A' ' 56' ' ' PHE . 21.6 tp -95.24 -40.3 9.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.8 ttm105 -69.66 -33.78 73.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 81' ' ' ARG . 12.1 p -58.28 -50.01 75.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.3 -48.54 41.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.6 tp -43.17 -36.14 1.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -83.14 -46.47 12.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -56.8 -30.77 64.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 t -52.02 117.12 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -87.16 -24.34 24.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 113' ' ' VAL . 30.8 m-20 -79.88 12.34 2.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -118.26 143.97 46.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.444 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 4.0 tp10 -110.04 151.15 27.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -92.75 109.96 21.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.899 HD12 HG12 ' A' ' 109' ' ' VAL . 40.9 mt -97.46 17.97 16.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.4 p -34.96 -30.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 95' ' ' LEU . 43.6 mt-10 -49.38 -43.96 44.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -88.79 -25.81 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.411 ' HB2' ' HA ' ' A' ' 108' ' ' LYS . 18.8 p -52.01 130.65 30.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.45 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 17.2 mm-40 -119.07 102.55 8.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.7 mt -102.94 -16.93 15.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -83.83 18.0 2.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.3 pt -114.03 163.57 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.5 m -38.55 -49.9 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.407 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 0.8 OUTLIER -117.84 101.98 51.62 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.611 0.719 . . . . 0.0 110.873 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.48 ' HG2' ' O ' ' A' ' 39' ' ' TRP . 53.7 Cg_endo -69.76 147.58 63.19 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.45 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 47.3 p90 -158.02 144.28 17.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.636 ' O ' HG22 ' A' ' 37' ' ' ILE . 12.4 mttm -106.99 123.7 48.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.917 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.899 HG12 HD12 ' A' ' 95' ' ' LEU . 42.8 t -94.39 138.8 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -138.08 152.88 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.66 ' HB2' HD11 ' A' ' 95' ' ' LEU . 5.1 ttt180 -118.34 127.4 53.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.5 mt -72.63 101.99 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 91' ' ' ASP . 5.9 t -79.48 122.56 84.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 0.0 111.2 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -176.41 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -86.55 177.84 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.5 t -127.12 140.52 52.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.05 162.6 12.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 111.77 2.89 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 84.3 p -89.57 149.94 22.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.2 m -115.85 167.33 11.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.501 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -82.42 -45.16 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.871 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.0 p -137.03 147.53 46.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.56 -140.83 24.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.8 m -153.32 153.49 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 7' ' ' GLY . 37.4 m -135.0 146.1 48.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.92 105.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -148.04 123.55 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.444 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 4.8 tp -77.68 -46.06 23.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' LEU . 30.5 ttt-85 -37.48 -65.39 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' TRP . 22.7 tp60 -69.01 -56.14 8.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.577 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 90.3 t90 -36.61 -61.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.58 ' HG ' HD11 ' A' ' 17' ' ' ILE . 24.7 tp -53.59 -61.17 2.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.758 ' HA ' HD12 ' A' ' 17' ' ' ILE . 58.0 mt -42.77 -41.33 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.16 -40.32 97.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -67.93 -40.41 83.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 14' ' ' ILE . 9.0 mt -64.87 -50.38 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -52.34 -51.04 61.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.6 p -56.47 -43.87 80.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.56 27.93 64.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -71.34 -40.49 70.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -90.57 143.14 28.69 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.675 0.75 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 152.44 69.62 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.99 -40.56 2.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.1 tp -69.96 102.03 1.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.9 m -149.67 148.27 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.629 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 98.7 m95 -77.34 121.54 23.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -64.71 -22.76 67.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.446 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 31.8 p30 -130.4 177.44 7.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -85.5 -23.56 27.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 13.3 pt-20 -68.0 -8.28 36.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.629 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 22.5 mmtm 59.81 32.12 21.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 t -101.15 -39.23 7.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.0 mt -109.57 137.28 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -147.04 173.73 12.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -130.94 132.93 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.453 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 9.4 tt -114.54 135.72 22.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.638 0.732 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.453 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.5 Cg_endo -69.82 110.98 2.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.308 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -96.58 15.35 21.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -72.41 148.36 45.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -148.32 120.19 8.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -103.2 165.55 10.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.88 65.88 0.45 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.425 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.608 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 24.8 mttm -146.48 158.84 43.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.745 0.307 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -97.49 -53.57 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -40.99 -37.61 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -57.17 177.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -92.87 107.41 19.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.466 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -95.02 -31.47 13.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.453 ' N ' ' HG2' ' A' ' 49' ' ' ARG . 26.2 mm-40 -65.8 -40.49 91.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -75.45 -58.65 3.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -50.81 -46.42 59.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.24 17.53 10.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.81 94.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.86 -52.49 63.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -63.39 -43.74 96.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.558 ' HD2' ' CH2' ' A' ' 78' ' ' TRP . 15.1 tptt -50.45 -48.32 56.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.4 89.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.577 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 26.4 t-105 -49.52 -59.35 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.82 -66.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.08 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.0 mt -45.57 -40.78 9.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -64.29 -65.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.549 ' HD3' ' CZ3' ' A' ' 59' ' ' TRP . 31.8 mmmt -49.89 -63.71 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.409 ' C ' ' HD2' ' A' ' 65' ' ' LYS . . . -104.8 -146.28 14.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 64' ' ' GLY . 4.0 mptt -139.02 109.63 6.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 71' ' ' ASP . 0.8 OUTLIER -134.88 160.54 37.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.495 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 7.6 mmp_? -126.97 126.79 43.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -80.42 -38.2 30.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.31 -37.04 54.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.482 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.4 mt -86.46 -52.58 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.34 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.575 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 7.4 t0 -90.78 175.69 6.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -96.74 120.3 62.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.554 0.692 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 125.26 11.91 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.67 2.246 . . . . 0.0 112.294 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.542 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 6.6 m-20 -128.87 102.38 19.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.571 0.701 . . . . 0.0 110.834 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.598 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.9 Cg_exo -48.03 -43.47 30.36 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 63.3 Cg_exo -47.96 -51.57 9.69 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.366 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.7 m -54.04 -47.12 71.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.576 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 9.7 m0 -65.63 -48.37 72.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.99 -54.85 39.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.528 ' HA ' ' CD ' ' A' ' 83' ' ' ARG . 56.9 m -62.62 -42.7 99.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -58.14 -51.91 67.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.47 HD13 ' CG ' ' A' ' 59' ' ' TRP . 25.5 tp -67.07 -67.23 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.528 ' CD ' ' HA ' ' A' ' 80' ' ' THR . 17.6 ptt180 -32.79 -46.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.495 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 3.2 t -60.93 -61.07 2.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -42.23 -55.54 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.2 tp -42.71 -56.59 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -62.87 -41.95 99.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -40.0 67.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -52.24 115.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -77.3 -29.97 53.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 113' ' ' VAL . 7.4 m-20 -78.67 11.02 2.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -115.49 142.06 47.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.482 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 3.3 tp10 -110.06 150.11 29.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -92.38 110.42 21.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.994 HD12 HG12 ' A' ' 109' ' ' VAL . 58.8 mt -96.11 18.03 14.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 95' ' ' LEU . 6.4 p -35.36 -31.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.134 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 95' ' ' LEU . 73.2 mt-10 -52.26 -43.39 64.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -85.81 -26.2 25.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.404 ' HB2' ' HA ' ' A' ' 108' ' ' LYS . 4.8 p -51.99 131.96 31.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.496 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 14.6 mm-40 -117.92 102.11 8.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.486 HD23 ' HB2' ' A' ' 106' ' ' PRO . 7.7 mt -102.91 -17.93 15.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.06 17.92 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 27.4 pt -112.96 166.3 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.3 m -42.86 -46.94 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -120.05 102.0 46.82 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.631 0.729 . . . . 0.0 110.836 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.486 ' HB2' HD23 ' A' ' 101' ' ' LEU . 53.8 Cg_endo -69.71 146.07 59.35 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.496 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 48.9 p90 -156.26 147.95 22.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.404 ' HA ' ' HB2' ' A' ' 99' ' ' SER . 11.6 mttm -107.19 125.76 51.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.994 HG12 HD12 ' A' ' 95' ' ' LEU . 48.2 t -96.58 141.07 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -140.54 152.22 45.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.633 ' HB2' HD11 ' A' ' 95' ' ' LEU . 7.0 ttt180 -119.29 124.99 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 71.8 mt -71.56 102.0 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 91' ' ' ASP . 7.2 t -79.04 122.54 84.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 111.118 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -174.7 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 116' ' ' SER . 9.2 pt-20 -62.38 -41.82 98.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.464 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 55.8 m -136.96 158.33 44.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -159.33 171.67 35.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 6.5 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.676 2.251 . . . . 0.0 112.286 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 87.9 p -101.46 113.99 27.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.9 m -151.28 159.45 44.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.486 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 1' ' ' GLY . 27.4 t -37.71 -51.36 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 m -91.52 118.85 30.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.36 149.38 18.23 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -60.91 118.26 6.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.38 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m -56.36 165.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.74 59.15 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.443 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -117.61 121.33 40.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.407 HD22 ' HB1' ' A' ' 85' ' ' ALA . 16.8 tp -83.16 -44.39 15.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -45.05 -68.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' TRP . 22.1 tp60 -60.86 -58.99 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' GLN . 81.3 t90 -36.7 -58.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.2 tp -57.36 -59.6 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.777 ' HA ' HD12 ' A' ' 17' ' ' ILE . 46.0 mt -42.88 -41.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.14 -37.56 85.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -68.25 -38.15 81.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 14' ' ' ILE . 7.5 mt -69.15 -49.98 57.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -51.95 -47.57 64.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 p -63.32 -34.97 78.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.69 28.74 73.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -72.49 -38.06 68.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.534 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 5.5 m-85 -88.82 141.17 29.63 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.662 0.744 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 145.53 57.39 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.82 -42.34 3.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.474 HD11 HG12 ' A' ' 17' ' ' ILE . 15.5 tp -66.89 102.34 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.6 m -145.27 146.37 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.592 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 99.3 m95 -78.33 111.96 14.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -58.23 -28.59 65.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.64 ' ND2' HD12 ' A' ' 34' ' ' ILE . 34.4 p30 -122.76 163.02 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -72.09 -32.7 67.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 12.6 pt-20 -56.47 -13.3 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.592 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 21.3 mmtm 62.71 32.69 16.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.6 p -105.21 -34.12 8.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.64 HD12 ' ND2' ' A' ' 29' ' ' ASN . 20.4 mt -111.47 133.87 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -143.7 170.98 14.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -122.97 135.65 54.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.531 HG22 ' O ' ' A' ' 108' ' ' LYS . 4.6 tt -114.36 132.08 22.97 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.637 0.732 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 108.63 2.12 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.643 2.229 . . . . 0.0 112.393 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.461 ' CE2' ' HE3' ' A' ' 108' ' ' LYS . 3.4 t-105 -96.23 13.5 27.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -73.55 156.58 37.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.49 178.02 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.423 ' HB1' ' CZ ' ' A' ' 47' ' ' TYR . . . -59.15 -66.13 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.35 -74.16 0.41 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.474 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -65.83 163.59 16.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.769 0.319 . . . . 0.0 110.895 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -110.78 -37.98 5.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -59.41 -29.07 67.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.474 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 4.9 p90 -51.99 178.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.0 116.49 20.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 51' ' ' GLU . 17.6 mtm180 -53.89 -59.21 4.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 49' ' ' ARG . 7.4 pt-20 -34.74 -34.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 49' ' ' ARG . 4.2 tp10 -74.79 -68.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -46.0 -40.02 9.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . -85.34 -20.49 29.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.05 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -32.39 -40.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.534 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 25.8 tp -78.1 -57.76 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.729 ' CD1' HD23 ' A' ' 82' ' ' LEU . 87.8 m-85 -53.93 -56.71 15.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.525 ' HG3' ' CE2' ' A' ' 78' ' ' TRP . 46.1 tttm -45.08 -59.29 2.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -40.75 -41.11 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.065 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.52 ' CH2' ' HD3' ' A' ' 63' ' ' LYS . 29.9 t-105 -52.16 -48.75 64.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.49 -59.71 4.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.479 HD11 ' NZ ' ' A' ' 57' ' ' LYS . 7.5 mt -48.25 -38.83 19.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -73.73 -57.3 4.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.52 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 30.4 mmmt -57.02 -61.97 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -106.01 -155.11 21.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.464 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 65' ' ' LYS . 3.0 mppt? -127.83 103.14 7.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -130.96 150.82 51.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.429 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 3.8 mmm-85 -117.62 131.13 56.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.52 -34.91 69.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 70' ' ' ILE . . . -94.91 -76.3 1.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.529 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.523 ' H ' HD12 ' A' ' 70' ' ' ILE . 4.3 mp -34.99 -50.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.365 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.57 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 1.8 t70 -94.87 174.8 6.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -100.98 121.14 53.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.563 0.696 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 113.52 3.39 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.537 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 22.4 t70 -120.35 102.06 46.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.591 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.6 Cg_exo -47.98 -43.45 30.12 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.9 Cg_exo -47.98 -60.47 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.258 . . . . 0.0 112.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.3 m -50.54 -44.46 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.525 ' CE2' ' HG3' ' A' ' 57' ' ' LYS . 28.4 m0 -63.28 -41.54 99.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.57 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 32.7 mtpt -73.65 -67.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 81' ' ' ARG . 36.7 m -39.04 -68.36 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 80' ' ' THR . 5.1 mpt_? -36.2 -68.34 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.729 HD23 ' CD1' ' A' ' 56' ' ' PHE . 59.8 tp -49.59 -41.5 42.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.45 ' HG2' ' CH2' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -58.44 -41.32 84.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.61 -42.19 74.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.407 ' HB1' HD22 ' A' ' 9' ' ' LEU . . . -56.97 -50.19 73.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.9 tp -40.7 -56.58 2.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -61.48 -43.79 98.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 35.8 mttm -50.51 -41.05 53.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.0 m -52.15 116.02 2.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -86.69 -27.39 23.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 113' ' ' VAL . 0.8 OUTLIER -81.75 15.48 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -113.48 145.0 41.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.43 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 7.3 tp10 -110.2 151.05 27.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.473 ' HG2' HG12 ' A' ' 96' ' ' VAL . 8.0 tt0 -93.08 109.78 21.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.843 HD12 HG12 ' A' ' 109' ' ' VAL . 12.6 mt -97.65 18.03 16.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.473 HG12 ' HG2' ' A' ' 94' ' ' GLU . 12.5 p -37.88 -26.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 95' ' ' LEU . 30.8 mt-10 -57.36 -42.6 82.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -90.61 -23.81 20.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.472 ' HA ' HG23 ' A' ' 109' ' ' VAL . 10.5 p -52.0 139.52 22.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.587 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 13.1 mm-40 -125.2 102.87 7.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.4 mt -114.03 14.59 18.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -117.92 17.91 14.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.682 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -117.32 177.56 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.1 m -42.4 -60.31 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.564 ' O ' HD11 ' A' ' 103' ' ' ILE . 6.5 t0 -110.61 102.09 50.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.635 0.731 . . . . 0.0 110.835 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.5 Cg_endo -69.75 151.54 69.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 31.8 p90 -164.73 152.23 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.531 ' O ' HG22 ' A' ' 37' ' ' ILE . 41.6 mttt -110.36 123.0 49.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.843 HG12 HD12 ' A' ' 95' ' ' LEU . 45.7 t -91.65 140.9 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -144.16 154.04 42.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.608 ' HB2' HD11 ' A' ' 95' ' ' LEU . 12.4 ttt180 -120.73 127.01 51.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.2 mt -74.5 103.02 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 91' ' ' ASP . 5.4 t -78.43 123.49 85.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.642 0.734 . . . . 0.0 111.063 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -174.45 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.31 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 116' ' ' SER . 8.9 pt-20 -87.06 -42.83 12.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 35.7 t -130.98 117.4 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -112.9 -172.9 18.7 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -50.43 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.747 2.298 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.6 t -67.73 -52.5 36.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.5 t -148.02 156.56 42.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.545 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 64.55 42.03 5.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -39.65 -58.64 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.42 132.28 11.03 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.7 m -146.18 169.17 19.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.341 . . . . 0.0 110.871 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 t -148.17 114.1 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.69 63.42 1.91 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.461 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -72.58 -42.87 64.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.404 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 6.3 tp -59.9 -47.93 83.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -47.03 -64.41 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' TRP . 3.4 tp-100 -64.42 -58.67 5.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 85.1 t90 -38.01 -56.16 1.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.539 ' HG ' HD11 ' A' ' 17' ' ' ILE . 45.9 tp -59.4 -54.46 46.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.484 ' HA ' HD12 ' A' ' 17' ' ' ILE . 65.3 mt -47.98 -39.04 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -65.7 -39.48 91.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -65.79 -40.81 92.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.706 HG22 ' CD1' ' A' ' 27' ' ' TRP . 9.1 mt -69.4 -48.7 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.551 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 8.2 t70 -50.5 -47.34 57.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 p -64.99 -33.55 76.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.5 29.0 73.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -70.41 -38.6 74.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.547 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 2.6 m-85 -87.73 140.94 31.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.663 0.744 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 148.05 63.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.703 2.269 . . . . 0.0 112.311 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.44 -45.43 3.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.463 HD21 HG13 ' A' ' 17' ' ' ILE . 18.3 tp -67.77 101.99 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.934 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.4 m -141.49 146.29 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.706 ' CD1' HG22 ' A' ' 17' ' ' ILE . 99.4 m95 -77.15 116.34 17.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -58.73 -23.06 59.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.415 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 29.8 p30 -131.32 177.68 7.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -85.8 -25.79 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.415 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 10.0 pt-20 -66.34 -6.52 14.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.624 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 22.5 mmtm 58.6 32.1 21.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.6 t -99.79 -40.09 7.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.6 mt -109.35 137.18 42.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -147.03 174.76 11.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -128.66 136.51 50.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.566 HG22 ' O ' ' A' ' 108' ' ' LYS . 12.0 tt -114.11 130.88 23.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.647 0.737 . . . . 0.0 111.165 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.435 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.2 Cg_endo -69.77 113.25 3.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.306 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.593 ' CE3' ' HD2' ' A' ' 108' ' ' LYS . 6.7 t-105 -94.77 18.04 12.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.561 ' CD ' ' HD2' ' A' ' 106' ' ' PRO . 13.8 mmmt -52.1 140.08 21.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -95.98 175.26 6.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.46 102.14 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.79 41.37 1.53 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.422 ' CG ' ' HB3' ' A' ' 47' ' ' TYR . 30.6 tttp -159.4 159.22 33.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -117.98 -30.83 5.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -95.75 13.74 25.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.463 ' CE2' ' HG2' ' A' ' 49' ' ' ARG . 16.0 p90 -82.29 169.21 16.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -106.36 116.14 31.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 44.1 mtm-85 -68.89 -42.87 76.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -54.69 -46.73 74.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -73.91 -47.31 38.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.02 -40.78 70.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.32 17.39 24.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.78 -42.69 17.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.547 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 10.5 tp -67.92 -59.5 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -50.69 -57.67 7.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -40.83 -55.59 2.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.69 -44.28 47.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.533 ' CD1' HD13 ' A' ' 82' ' ' LEU . 31.4 t-105 -52.42 -57.15 10.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.72 -64.71 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.4 mt -48.03 -35.71 11.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 62' ' ' PHE . 5.6 t80 -70.04 -55.59 9.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -60.39 -63.86 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.89 -159.66 22.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.436 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -125.21 102.04 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -107.52 116.36 31.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.506 ' HD2' HD12 ' A' ' 70' ' ' ILE . 82.6 mmt-85 -73.47 108.97 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -62.51 -40.77 97.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.72 -57.54 2.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.506 HD12 ' HD2' ' A' ' 67' ' ' ARG . 64.4 mt -57.83 -56.82 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 111.135 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -89.7 159.36 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -94.67 138.05 22.35 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 146.65 61.07 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.727 2.285 . . . . 0.0 112.387 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.548 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 2.8 p30 -149.81 103.89 3.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.617 0.722 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.589 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.5 Cg_exo -48.03 -43.21 30.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.709 2.273 . . . . 0.0 112.319 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.7 Cg_exo -48.01 -48.81 15.34 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.0 m -63.14 -44.52 95.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.407 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 36.1 m0 -60.75 -48.78 80.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -72.03 -65.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.6 m -36.34 -65.31 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 81' ' ' ARG . 0.4 OUTLIER -42.42 -67.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.533 HD13 ' CD1' ' A' ' 59' ' ' TRP . 27.7 tp -46.99 -59.8 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -39.22 -50.09 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.84 -46.73 87.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.91 -50.67 71.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.8 tp -44.22 -49.9 9.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -69.68 -42.93 73.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -53.52 -40.08 65.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.1 t -52.1 105.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -72.19 -27.42 62.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.1 m-20 -80.3 13.34 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -114.09 143.72 44.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.447 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 1.2 tp10 -109.93 147.16 33.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -89.22 110.4 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.785 HD12 HG12 ' A' ' 109' ' ' VAL . 10.2 mt -98.88 17.96 18.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.442 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 14.8 p -35.08 -28.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 95' ' ' LEU . 35.8 mt-10 -52.04 -41.05 61.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 4.3 mtp85 -89.79 -24.75 21.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.446 ' HB2' ' HA ' ' A' ' 108' ' ' LYS . 8.0 p -52.01 124.36 12.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 13.1 mm-40 -116.76 101.98 9.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.457 HD23 ' HB2' ' A' ' 106' ' ' PRO . 6.8 mt -100.8 -17.11 17.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.33 18.02 1.92 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 21.4 pt -113.84 164.04 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.4 m -41.8 -47.22 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 83.8 m-20 -118.83 102.07 49.78 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.621 0.724 . . . . 0.0 110.816 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.561 ' HD2' ' CD ' ' A' ' 40' ' ' LYS . 53.1 Cg_endo -69.86 142.93 48.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.295 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.425 ' HA ' ' O ' ' A' ' 37' ' ' ILE . 38.6 p90 -154.72 146.24 23.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.593 ' HD2' ' CE3' ' A' ' 39' ' ' TRP . 11.9 mttm -108.07 126.75 53.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.785 HG12 HD12 ' A' ' 95' ' ' LEU . 96.1 t -94.92 143.01 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -144.72 152.35 40.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.589 ' HB2' HD11 ' A' ' 95' ' ' LEU . 8.5 ttt180 -119.63 126.59 51.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.4 HD13 HD11 ' A' ' 14' ' ' ILE . 73.1 mt -71.72 102.0 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 91' ' ' ASP . 4.7 t -77.39 124.9 86.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 111.142 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -174.5 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -96.07 170.32 9.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.3 t -60.47 148.75 36.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.67 144.63 45.97 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -30.49 22.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.651 2.234 . . . . 0.0 112.347 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.8 t -92.92 174.56 7.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.0 t -85.31 -55.8 3.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 3' ' ' SER . 58.2 m -90.5 -60.79 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.369 . . . . 0.0 110.816 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 2' ' ' SER . 21.5 t -36.99 -52.22 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.3 -177.57 43.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.8 p -72.03 138.44 47.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -115.63 115.29 26.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.62 79.9 0.93 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 12' ' ' TRP . 25.5 mtpp -118.57 119.29 34.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 4.5 tp -91.75 -47.9 7.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -44.39 -67.23 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' TRP . 5.2 tp60 -61.51 -60.37 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.531 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 85.5 t90 -36.62 -58.19 0.74 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.6 tp -56.71 -57.29 13.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.738 ' HA ' HD12 ' A' ' 17' ' ' ILE . 38.7 mt -46.64 -42.11 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.56 -37.51 81.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.423 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 46.2 mm-40 -66.73 -39.91 88.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.738 HD12 ' HA ' ' A' ' 14' ' ' ILE . 8.2 mt -68.02 -47.22 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -55.33 -45.32 76.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.2 p -66.09 -34.52 78.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.815 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.12 29.4 74.84 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.543 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -73.39 -38.67 65.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 16' ' ' GLN . 1.6 m-85 -89.88 141.83 28.51 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.645 0.736 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 149.29 66.92 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.11 -36.76 2.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.471 HD11 HG12 ' A' ' 17' ' ' ILE . 17.0 tp -73.4 103.29 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.4 m -153.0 146.57 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.651 ' CD1' HG22 ' A' ' 17' ' ' ILE . 81.6 m95 -77.4 122.33 25.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -67.33 -24.04 65.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.479 ' ND2' HD12 ' A' ' 34' ' ' ILE . 32.2 p30 -124.93 170.36 11.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -79.54 -32.34 42.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 8.5 pt-20 -55.57 -13.77 1.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.609 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 2.4 mmmp? 63.12 37.38 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 t -110.04 -37.85 5.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.479 HD12 ' ND2' ' A' ' 29' ' ' ASN . 40.7 mt -106.79 138.78 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -148.54 173.68 12.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -127.49 134.72 49.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.428 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 13.8 tt -114.05 134.9 22.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 111.109 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.8 Cg_endo -69.74 113.49 3.39 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.731 2.288 . . . . 0.0 112.37 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -109.25 102.03 10.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -140.33 141.35 35.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -108.65 176.52 5.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 43' ' ' GLY . . . -40.03 -35.96 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -34.26 -44.19 0.38 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.54 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -59.01 159.54 7.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.744 0.307 . . . . 0.0 110.876 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -145.12 151.29 38.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 52.27 32.01 10.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.54 ' CD1' ' HB3' ' A' ' 44' ' ' LYS . 18.3 p90 -108.72 177.86 4.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.459 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -77.03 109.29 10.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.91 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.1 ttp85 -91.08 -48.56 6.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.25 -46.12 68.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -55.27 -50.61 69.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -39.78 95.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . -67.7 -36.8 81.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -33.96 -39.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.1 tp -73.57 -67.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -47.25 -52.89 14.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.58 ' HE3' ' CE1' ' A' ' 66' ' ' PHE . 17.7 tptm -47.6 -57.41 5.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.98 -42.54 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.571 ' CH2' ' HD3' ' A' ' 63' ' ' LYS . 34.0 t-105 -56.96 -50.17 73.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.68 -62.43 1.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.459 HD21 ' HD1' ' A' ' 66' ' ' PHE . 9.3 mt -51.44 -40.83 60.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 62' ' ' PHE . 3.5 t80 -65.29 -52.04 56.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.571 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 25.2 mmmt -64.73 -65.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.98 -152.64 21.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -130.85 103.22 6.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.58 ' CE1' ' HE3' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -114.34 134.3 55.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.522 ' CB ' ' HB ' ' A' ' 70' ' ' ILE . 13.2 mmm180 -89.69 116.57 27.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.461 ' HA ' ' CE1' ' A' ' 66' ' ' PHE . 10.5 tt0 -58.54 -38.63 78.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.99 -63.86 0.99 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.522 ' HB ' ' CB ' ' A' ' 67' ' ' ARG . 83.5 mt -48.11 -45.39 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -100.72 141.28 33.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 129.6 82.51 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.596 0.712 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 110.97 2.68 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.547 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 1.7 p30 -118.93 101.95 49.69 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.53 0.681 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.597 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.4 Cg_exo -47.95 -43.31 30.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.1 Cg_exo -48.01 -40.44 33.35 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.7 m -67.4 -48.98 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.561 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 7.4 m0 -61.41 -45.34 94.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -63.76 -47.64 80.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.8 m -61.31 -46.29 90.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -51.86 -58.66 5.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.9 tp -65.97 -53.6 36.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -44.67 -51.49 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.98 -53.99 22.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.495 ' O ' ' HG3' ' A' ' 88' ' ' LYS . . . -59.11 -47.65 84.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.7 tp -41.88 -21.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ALA . 5.8 t-20 -96.84 -54.54 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -49.7 -30.87 9.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.9 p -55.91 102.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -76.92 -26.58 54.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 113' ' ' VAL . 2.3 p-10 -78.2 10.78 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -116.6 143.34 45.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.433 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.8 tt0 -109.9 144.94 37.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -85.13 108.08 17.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.74 HD11 ' HB2' ' A' ' 111' ' ' ARG . 13.6 mt -96.75 18.02 15.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 95' ' ' LEU . 2.6 p -35.96 -34.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.194 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 95' ' ' LEU . 81.3 mt-10 -46.04 -44.13 15.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -88.24 -25.21 22.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.8 p -52.04 139.9 21.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.554 ' HB3' HD12 ' A' ' 103' ' ' ILE . 14.6 mm-40 -125.6 106.04 9.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.2 mt -113.75 13.16 18.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -117.98 18.0 14.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.728 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -115.84 177.61 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 t -43.05 -59.47 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.468 ' O ' HD11 ' A' ' 103' ' ' ILE . 64.6 m-20 -112.62 105.37 56.0 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.556 0.693 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.2 Cg_endo -69.77 151.79 69.12 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.341 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.457 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 49.0 p90 -165.77 152.1 9.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -112.01 124.67 52.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.613 HG12 HD12 ' A' ' 95' ' ' LEU . 60.0 t -92.94 144.94 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -145.13 158.41 43.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.74 ' HB2' HD11 ' A' ' 95' ' ' LEU . 6.2 ttt180 -122.96 126.5 47.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 71.2 mt -72.87 102.01 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 91' ' ' ASP . 7.5 t -81.01 124.05 81.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.681 0.753 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.96 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.664 2.243 . . . . 0.0 112.372 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 116' ' ' SER . 13.1 pt-20 -66.71 -44.36 81.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.48 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 53.3 p -113.83 155.74 25.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -123.27 160.23 17.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 4.32 2.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.237 . . . . 0.0 112.377 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.1 m -111.2 153.61 25.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 74.5 m -75.63 -53.9 7.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.416 ' CB ' ' HB2' ' A' ' 5' ' ' SER . 5.7 m -125.79 162.9 24.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 m -54.94 -62.15 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.819 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.43 47.35 0.82 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.416 ' HB2' ' CB ' ' A' ' 2' ' ' SER . 4.9 t -83.65 112.34 19.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.856 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 m -74.05 115.85 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' C ' ' HG3' ' A' ' 8' ' ' LYS . . . -68.25 146.65 46.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.458 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.424 ' HG3' ' C ' ' A' ' 7' ' ' GLY . 20.8 mtmt -147.91 133.74 19.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.797 0.332 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tp -91.18 -45.64 8.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -44.77 -64.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -64.18 -53.67 45.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.57 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 76.4 t90 -40.73 -59.59 1.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.473 HD23 ' HE2' ' A' ' 92' ' ' PHE . 50.6 tp -57.32 -59.65 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.884 ' HA ' HD12 ' A' ' 17' ' ' ILE . 49.8 mt -44.03 -39.94 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -61.46 -40.67 95.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -64.27 -38.08 89.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.884 HD12 ' HA ' ' A' ' 14' ' ' ILE . 8.9 mt -67.01 -49.87 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -51.83 -55.83 17.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.2 p -54.03 -33.32 56.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.29 27.19 68.84 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -69.55 -38.84 77.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.499 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 3.2 m-85 -87.98 141.21 31.23 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.703 0.763 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.36 56.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.38 -43.67 3.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.524 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.81 102.43 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.3 m -150.44 146.38 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 93.0 m95 -77.15 109.75 11.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -55.35 -30.05 59.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.479 ' CG ' ' CG ' ' A' ' 31' ' ' GLU . 42.3 p30 -123.08 153.08 40.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.4 -31.77 73.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.479 ' CG ' ' CG ' ' A' ' 29' ' ' ASN . 12.7 pt-20 -54.52 -14.12 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.597 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 0.8 OUTLIER 62.74 36.11 13.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.9 m -108.31 -37.7 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.445 HD12 ' ND2' ' A' ' 29' ' ' ASN . 25.9 mt -110.74 139.89 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -145.19 167.87 21.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' HB2' ' CD2' ' A' ' 107' ' ' TYR . 1.4 ptt180 -121.48 139.57 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.71 HG22 ' O ' ' A' ' 108' ' ' LYS . 7.8 tt -116.87 134.63 22.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.651 0.739 . . . . 0.0 111.08 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.446 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.1 Cg_endo -69.8 111.78 2.91 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.732 2.288 . . . . 0.0 112.296 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.406 ' O ' ' HG2' ' A' ' 106' ' ' PRO . 2.4 t-105 -113.2 102.0 9.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HG2' ' HG2' ' A' ' 106' ' ' PRO . 54.2 mttt -121.96 158.89 28.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 42' ' ' ALA . 37.2 t-80 -115.35 156.13 26.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 43' ' ' GLY . . . -36.43 -46.32 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -33.87 -59.49 0.57 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -62.9 140.1 58.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.741 0.305 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -112.74 -37.45 4.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -44.88 -33.36 1.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -52.48 174.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -126.57 124.92 41.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 53' ' ' ALA . 32.5 mtm180 -68.79 -46.59 68.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.8 -47.24 81.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -61.25 -61.46 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -38.67 73.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 49' ' ' ARG . . . -69.73 -35.95 75.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.41 -54.14 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.499 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 49.6 tp -57.94 -55.88 29.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.574 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 67.8 m-85 -57.87 -66.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.513 ' HD2' ' CZ3' ' A' ' 78' ' ' TRP . 54.2 tttt -35.32 -46.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.4 -48.0 77.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.57 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 57.8 t-105 -52.87 -47.5 67.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.544 ' CB ' ' CD1' ' A' ' 78' ' ' TRP . . . -55.8 -51.53 67.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 66' ' ' PHE . 7.2 mt -61.12 -57.97 10.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 61' ' ' LEU . 75.9 t80 -34.32 -64.22 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.16 -54.9 37.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.417 ' C ' ' HE3' ' A' ' 65' ' ' LYS . . . 132.73 36.0 0.3 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.417 ' HE3' ' C ' ' A' ' 64' ' ' GLY . 0.4 OUTLIER -94.67 -35.97 11.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.915 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.56 ' CZ ' ' HA ' ' A' ' 68' ' ' GLU . 10.1 t80 -107.42 138.78 43.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.765 ' HG2' HD12 ' A' ' 70' ' ' ILE . 0.6 OUTLIER -118.02 15.37 14.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.861 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 18.0 tt0 52.8 44.22 30.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 162.85 -67.2 0.23 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.765 HD12 ' HG2' ' A' ' 67' ' ' ARG . 95.1 mt -48.6 -48.53 14.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 111.139 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -93.47 170.89 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -98.93 127.47 35.08 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 103.25 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.352 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.547 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 68.8 m-20 -128.11 101.97 21.99 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.599 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 66.0 Cg_exo -48.02 -43.26 30.81 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.323 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.4 Cg_exo -48.02 -52.31 8.46 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.365 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.0 m -66.33 -44.96 81.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.544 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 22.9 m0 -54.74 -44.82 73.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.574 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 62.2 tttt -68.86 -58.64 3.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.3 m -44.83 -43.09 8.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -54.53 -57.1 12.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.518 HD23 ' CE1' ' A' ' 56' ' ' PHE . 16.7 tp -63.56 -51.88 63.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -45.49 -44.2 12.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.32 -48.88 47.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 86' ' ' LEU . . . -58.08 -63.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 85' ' ' ALA . 27.4 tp -35.68 -49.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.51 -44.12 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -41.23 67.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 t -56.21 102.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -64.84 -38.17 90.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -57.5 -12.6 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.473 ' HE2' HD23 ' A' ' 13' ' ' LEU . 3.2 m-85 -108.98 133.51 52.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.492 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.5 tt0 -109.83 153.8 23.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 9.5 tt0 -111.35 116.05 30.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 111' ' ' ARG . 17.6 mt -92.74 101.96 14.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.439 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.1 OUTLIER -79.16 -36.81 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -48.59 -30.77 5.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -100.93 -15.3 17.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.439 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 42.8 p -61.09 127.49 31.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.548 ' HB3' HD12 ' A' ' 103' ' ' ILE . 27.3 mm-40 -121.72 102.05 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.509 HD21 ' HG3' ' A' ' 108' ' ' LYS . 8.8 mt -116.79 14.0 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -117.5 18.03 14.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.79 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -117.62 171.02 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 103' ' ' ILE . 2.0 m -35.63 -56.16 0.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.547 ' O ' HD11 ' A' ' 103' ' ' ILE . 0.9 OUTLIER -115.82 105.58 51.26 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 110.865 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.7 Cg_endo -69.78 139.81 41.07 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.625 2.217 . . . . 0.0 112.352 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.506 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 49.0 p90 -157.9 146.0 18.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.71 ' O ' HG22 ' A' ' 37' ' ' ILE . 18.7 mttm -107.05 129.93 54.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.7 t -88.93 147.1 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 94' ' ' GLU . 10.8 m-85 -134.36 170.53 15.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.769 ' HB2' HD11 ' A' ' 95' ' ' LEU . 7.6 ttt85 -139.68 125.17 19.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 93.3 mt -74.25 102.38 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.492 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 3.3 t -72.68 124.74 91.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.653 0.74 . . . . 0.0 111.109 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 178.05 4.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.685 2.257 . . . . 0.0 112.343 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -97.54 155.98 16.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.4 m -59.75 151.74 24.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -140.57 159.18 26.3 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 147.95 63.67 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.379 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.1 t -91.03 165.37 13.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 91.2 p -87.95 151.57 22.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.432 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t -125.24 132.25 52.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 0.0 110.89 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 p -149.26 139.7 22.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.89 -171.96 18.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -52.44 -46.54 66.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.904 0.383 . . . . 0.0 110.85 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -63.7 137.63 58.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.808 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.13 134.59 7.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -87.28 101.99 14.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.353 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.7 tp -75.17 -47.5 28.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -39.49 -67.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.478 ' C ' ' CD ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -63.95 -55.65 20.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' GLN . 90.7 t90 -36.7 -59.63 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.42 ' HG ' HD11 ' A' ' 17' ' ' ILE . 49.3 tp -59.79 -53.63 55.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.6 mt -45.41 -44.49 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.38 -36.86 81.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -66.57 -43.37 85.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.498 HG22 ' CD1' ' A' ' 27' ' ' TRP . 8.3 mt -69.65 -45.12 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.517 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 14.5 t0 -58.97 -47.08 86.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 p -59.16 -33.47 70.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.59 27.78 72.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -72.6 -38.55 67.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.535 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 3.5 m-85 -90.16 145.06 32.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.667 0.746 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 154.4 67.82 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.327 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.68 -48.64 2.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.404 ' HG ' HG23 ' A' ' 17' ' ' ILE . 12.0 tp -61.24 102.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.7 m -149.57 146.14 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.649 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 90.6 m95 -77.29 114.16 15.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -55.06 -29.61 57.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.508 ' ND2' ' CG ' ' A' ' 31' ' ' GLU . 44.3 p30 -123.27 170.8 9.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -79.76 -35.68 38.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.508 ' CG ' ' ND2' ' A' ' 29' ' ' ASN . 8.0 pt-20 -53.73 -14.63 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.649 ' HD3' ' CD1' ' A' ' 27' ' ' TRP . 6.4 mmtp 64.71 33.17 10.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.429 ' HB2' HD12 ' A' ' 34' ' ' ILE . 7.2 m -98.04 -41.48 7.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.429 HD12 ' HB2' ' A' ' 33' ' ' SER . 3.7 mp -112.47 141.79 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.406 ' N ' ' CD1' ' A' ' 35' ' ' PHE . 4.9 p90 -144.64 175.18 10.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.552 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 3.2 ptt180 -129.39 134.03 47.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 108' ' ' LYS . 17.1 tt -114.02 131.45 23.16 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.644 0.735 . . . . 0.0 111.078 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.415 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.4 Cg_endo -69.74 116.06 4.38 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -96.18 17.55 15.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -57.04 132.04 51.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -87.36 168.69 12.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -106.2 121.6 44.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.62 -41.52 0.86 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -86.94 159.72 18.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.711 0.291 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -113.14 -38.0 4.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -59.8 -31.73 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -63.79 174.27 1.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -91.63 103.13 15.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.458 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -88.03 -32.67 18.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' N ' ' HG2' ' A' ' 49' ' ' ARG . 21.5 tt0 -54.97 -31.55 60.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -78.77 -56.26 4.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.466 ' OD1' ' C ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -53.25 -34.76 58.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.58 17.89 23.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.15 -42.74 73.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.535 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 11.6 tp -63.44 -51.57 65.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.418 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 58.1 m-85 -51.88 -45.22 64.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 58' ' ' ALA . 39.7 mtpt -57.56 -55.64 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' LYS . . . -37.14 -43.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.536 ' CH2' ' HD3' ' A' ' 63' ' ' LYS . 22.4 t-105 -61.65 -55.89 25.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.49 ' HB2' ' HD3' ' A' ' 81' ' ' ARG . . . -56.43 -43.61 79.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mt -65.01 -46.76 80.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -62.2 -55.66 26.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.536 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 12.2 mmmm -60.82 -63.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.56 -146.41 19.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -140.42 109.0 5.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.782 0.325 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -110.9 105.35 14.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.929 ' HG2' HD12 ' A' ' 70' ' ' ILE . 5.0 tpt180 -63.83 105.26 0.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.426 ' C ' ' CD ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -64.66 119.39 10.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.95 -53.7 0.74 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.929 HD12 ' HG2' ' A' ' 67' ' ' ARG . 70.1 mt -73.76 -49.91 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 111.082 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.26 134.71 36.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.15 119.91 74.87 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 145.04 55.83 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.538 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 18.9 t70 -153.8 101.97 2.51 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.567 0.698 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.589 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.0 Cg_exo -47.97 -43.62 29.64 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.688 2.258 . . . . 0.0 112.359 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.2 Cg_exo -47.97 -38.22 31.01 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.649 2.233 . . . . 0.0 112.356 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.5 m -72.41 -50.65 24.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.554 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 10.1 m0 -58.54 -52.27 66.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 29.0 mttt -52.04 -58.95 5.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.5 m -54.06 -49.06 69.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.49 ' HD3' ' HB2' ' A' ' 60' ' ' ALA . 5.9 mtp180 -43.59 -60.55 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.5 tp -65.06 -40.36 94.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -52.72 -42.64 65.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.2 t -68.22 -46.04 71.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.61 -54.74 43.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.3 tp -44.09 -54.31 5.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -61.12 -45.33 95.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -56.0 -42.84 77.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.7 t -53.18 107.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -77.64 -29.51 51.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.58 7.64 4.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -119.86 135.77 54.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.453 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.4 tt0 -111.46 141.07 45.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.472 ' HA ' ' CD2' ' A' ' 110' ' ' TYR . 1.7 tt0 -92.05 113.43 25.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.97 HD11 ' HB2' ' A' ' 111' ' ' ARG . 28.2 mt -98.27 102.04 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.448 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.1 OUTLIER -87.88 -35.78 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -48.9 -40.78 31.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -89.6 -16.52 30.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.448 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 26.9 p -59.76 126.82 29.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.518 ' HB3' HD12 ' A' ' 103' ' ' ILE . 8.8 mm-40 -119.88 103.15 9.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 mt -116.13 12.58 15.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -111.92 2.15 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.641 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -101.6 164.14 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 103' ' ' ILE . 9.8 t -32.04 -58.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.616 ' O ' HD11 ' A' ' 103' ' ' ILE . 5.9 m-20 -110.52 102.12 50.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.4 Cg_endo -69.76 148.48 65.17 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.338 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.552 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 33.7 p90 -166.46 154.33 10.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.42 ' O ' HG22 ' A' ' 37' ' ' ILE . 64.2 mttt -108.95 131.15 55.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.505 HG12 HD12 ' A' ' 95' ' ' LEU . 91.3 t -93.56 139.42 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.472 ' CD2' ' HA ' ' A' ' 94' ' ' GLU . 9.8 m-85 -130.94 168.87 16.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.97 ' HB2' HD11 ' A' ' 95' ' ' LEU . 6.0 ttt180 -133.05 126.0 30.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 86.5 mt -73.88 102.78 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.453 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 4.0 t -76.71 125.05 87.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.74 . . . . 0.0 111.129 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -178.68 2.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.303 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -77.25 -51.06 11.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 66.6 m -108.95 145.66 35.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -73.19 -178.63 35.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -7.19 20.42 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.724 2.283 . . . . 0.0 112.326 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.3 m -81.79 131.13 35.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.818 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 72.2 m -147.3 168.72 21.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -77.68 143.18 38.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.916 0.389 . . . . 0.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 t -69.01 -58.39 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.75 95.12 0.14 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -63.61 -55.62 22.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m 57.72 43.73 21.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.92 -85.65 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.47 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.08 43.84 30.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.683 HD22 ' HB1' ' A' ' 85' ' ' ALA . 10.6 tp -91.71 -46.79 7.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -40.66 -66.21 0.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 12' ' ' TRP . 15.5 tp60 -63.54 -55.01 27.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.512 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 83.7 t90 -36.7 -61.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 16' ' ' GLN . 46.9 tp -54.72 -61.06 2.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.83 ' HA ' HD12 ' A' ' 17' ' ' ILE . 71.8 mt -41.04 -42.89 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -60.63 -39.59 88.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.443 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 50.1 mm-40 -64.57 -39.08 93.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.83 HD12 ' HA ' ' A' ' 14' ' ' ILE . 7.4 mt -67.99 -51.97 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -49.33 -54.24 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 p -56.94 -33.53 67.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.08 29.59 74.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -73.46 -38.7 65.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.759 0.314 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.443 ' CE1' ' HB3' ' A' ' 16' ' ' GLN . 1.6 m-85 -89.18 142.05 29.69 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.651 0.739 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 150.17 68.16 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.71 2.273 . . . . 0.0 112.358 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.2 -31.45 2.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.566 ' CD1' ' CE1' ' A' ' 35' ' ' PHE . 12.8 tp -77.64 105.42 8.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.4 m -156.04 145.31 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.6 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 87.9 m95 -77.34 124.09 27.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -72.2 -25.87 61.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.8 HD22 HD12 ' A' ' 34' ' ' ILE . 35.4 p30 -122.36 175.61 6.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -81.98 -34.48 29.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 8.7 pt-20 -55.51 -13.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.6 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 18.8 mmtm 63.12 32.03 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.7 t -105.67 -37.43 6.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.8 HD12 HD22 ' A' ' 29' ' ' ASN . 27.9 mt -102.19 130.23 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.566 ' CE1' ' CD1' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -147.19 165.06 31.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.428 ' N ' ' CD1' ' A' ' 35' ' ' PHE . 1.6 ptp180 -115.39 133.48 56.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.485 ' HB ' ' CE1' ' A' ' 35' ' ' PHE . 16.6 tt -113.28 130.19 23.87 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.667 0.746 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 111.37 2.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.323 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 -91.05 16.5 9.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -55.99 121.25 8.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -87.73 163.21 16.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.89 117.14 9.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.09 -76.6 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.447 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 28.8 mttm -66.02 172.47 3.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -117.5 -37.84 3.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -59.81 -31.93 70.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.575 ' CE1' ' HG2' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -61.6 177.84 0.37 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.821 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -90.9 125.21 35.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.575 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 29.8 mtm105 -97.95 -47.35 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.613 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 7.1 pt-20 -60.06 -40.75 90.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 3.9 tp10 -77.56 -46.88 20.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -64.24 -31.03 72.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -110.0 17.39 21.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 50' ' ' GLU . . . -68.79 -46.72 67.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.09 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.3 tp -58.79 -61.8 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -52.81 -49.28 65.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.444 ' HG2' ' CD1' ' A' ' 61' ' ' LEU . 33.1 tttt -56.63 -47.93 78.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.38 -46.84 47.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.512 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 73.6 t-105 -53.28 -52.79 57.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.07 -62.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.047 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.461 ' O ' ' C ' ' A' ' 62' ' ' PHE . 5.4 mt -54.59 -63.62 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.461 ' C ' ' O ' ' A' ' 61' ' ' LEU . 27.0 t80 -33.64 -67.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -50.11 -39.73 43.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 111.27 37.14 1.68 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.474 ' HE2' ' CZ ' ' A' ' 81' ' ' ARG . 21.6 mmmt -98.03 -35.65 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.408 ' O ' HD23 ' A' ' 61' ' ' LEU . 61.9 t80 -120.64 158.24 27.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -143.04 104.53 4.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 69' ' ' GLY . 18.3 tt0 -55.95 144.78 27.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.422 ' N ' ' HG2' ' A' ' 68' ' ' GLU . . . 89.1 -43.78 3.07 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.49 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 88.8 mt -83.89 -60.93 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.357 . . . . 0.0 111.119 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.75 172.96 6.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -93.17 128.73 41.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.561 0.696 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 128.61 16.29 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.334 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.547 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 9.8 t70 -133.92 102.06 12.43 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.625 0.726 . . . . 0.0 110.824 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.586 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.5 Cg_exo -48.02 -43.3 30.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.2 Cg_exo -48.01 -18.93 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.702 2.268 . . . . 0.0 112.318 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.8 m -92.85 -44.86 8.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.471 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 3.5 m0 -65.09 -58.45 6.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -48.74 -53.94 16.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.1 m -55.57 -61.56 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.474 ' CZ ' ' HE2' ' A' ' 65' ' ' LYS . 36.1 mtp85 -41.49 -67.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.9 tp -53.69 -44.33 69.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -55.26 -40.02 70.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.23 -50.25 61.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.683 ' HB1' HD22 ' A' ' 9' ' ' LEU . . . -54.23 -42.7 70.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.6 tp -48.4 -48.81 36.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -65.79 -46.04 80.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -50.53 -40.17 51.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.6 m -52.31 116.88 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.808 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -86.35 -29.33 23.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 113' ' ' VAL . 3.0 m-20 -77.84 9.22 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -106.72 142.67 35.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 5.9 tp10 -109.69 149.87 29.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.459 ' HG2' HG12 ' A' ' 96' ' ' VAL . 9.5 tt0 -93.6 113.21 25.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.782 HD12 HG12 ' A' ' 109' ' ' VAL . 9.2 mt -102.07 18.02 21.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.869 HG13 ' OE1' ' A' ' 97' ' ' GLU . 6.6 p -32.32 -30.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.869 ' OE1' HG13 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -48.73 -42.75 36.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -91.94 -23.35 19.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.441 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 26.1 p -52.01 126.32 18.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.588 ' HB3' HD12 ' A' ' 103' ' ' ILE . 11.3 mm-40 -118.43 108.69 15.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.0 mt -117.01 15.43 15.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.93 17.64 14.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.798 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -117.41 177.43 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.0 m -44.11 -59.63 2.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -110.5 103.3 53.94 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.564 0.697 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.4 Cg_endo -69.79 143.11 49.69 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.311 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 46.7 p90 -156.66 150.9 25.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.978 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 99' ' ' SER . 41.1 mttm -114.16 124.34 51.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.782 HG12 HD12 ' A' ' 95' ' ' LEU . 90.4 t -89.82 137.94 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -140.67 149.28 42.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.741 ' HB2' HD11 ' A' ' 95' ' ' LEU . 7.1 ttt85 -117.75 121.12 39.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 78.3 mt -72.7 101.96 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.483 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 4.0 t -75.82 119.64 78.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.62 0.724 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 179.79 3.42 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.722 2.281 . . . . 0.0 112.318 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -76.93 -51.79 10.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.0 m -116.93 172.28 7.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 176.26 -177.78 47.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 4.73 2.02 Favored 'Trans proline' 0 N--CA 1.466 -0.129 0 C-N-CA 122.703 2.269 . . . . 0.0 112.38 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 71.0 m -69.61 -57.8 4.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.1 m -126.45 120.0 28.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -129.56 128.01 41.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -63.74 -52.02 62.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.63 166.13 4.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -66.33 -47.1 74.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 110.855 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -69.23 151.97 45.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.25 -179.34 28.68 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.463 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.37 102.78 10.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 tp -83.42 -47.21 11.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -39.55 -62.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -68.3 -52.12 37.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -39.93 -60.48 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.572 HD23 ' HE2' ' A' ' 92' ' ' PHE . 50.7 tp -56.17 -61.9 2.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.438 ' HA ' HD12 ' A' ' 17' ' ' ILE . 85.4 mt -41.4 -41.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.22 -37.65 83.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 13' ' ' LEU . 49.6 mm-40 -66.59 -42.26 87.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.629 HG22 ' CD1' ' A' ' 27' ' ' TRP . 14.1 mt -67.73 -51.54 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.438 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 3.1 t70 -53.91 -44.07 70.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 p -63.94 -34.1 77.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.97 29.05 73.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -71.95 -41.47 67.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.751 0.31 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.422 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 2.0 m-85 -88.55 143.65 32.45 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.674 0.75 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 148.27 65.06 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.748 2.299 . . . . 0.0 112.334 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.33 -43.34 3.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.509 HD11 HG12 ' A' ' 17' ' ' ILE . 15.5 tp -67.42 102.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.9 m -148.34 147.47 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.629 ' CD1' HG22 ' A' ' 17' ' ' ILE . 98.0 m95 -78.46 116.65 19.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -58.68 -28.34 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.451 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 43.2 p30 -121.26 178.22 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -86.52 -30.86 21.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.4 pt-20 -61.92 -14.83 38.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.595 ' HD3' ' CD1' ' A' ' 27' ' ' TRP . 24.5 mmtm 65.79 34.63 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.52 ' HB2' HD12 ' A' ' 34' ' ' ILE . 6.3 m -97.16 -42.09 8.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.52 HD12 ' HB2' ' A' ' 33' ' ' SER . 4.5 mp -113.17 141.6 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.405 ' CD1' ' CZ3' ' A' ' 27' ' ' TRP . 6.6 p90 -147.1 174.8 11.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 0.4 OUTLIER -127.26 137.03 52.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 108' ' ' LYS . 4.7 tt -116.18 133.88 22.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.6 Cg_endo -69.76 122.58 9.26 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.692 2.262 . . . . 0.0 112.321 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -105.82 17.96 22.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.45 ' HD3' ' HD2' ' A' ' 106' ' ' PRO . 6.4 mmmt -51.97 151.74 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -99.55 113.6 26.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.3 108.28 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.17 -47.18 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.539 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 4.4 mptt -60.4 165.38 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.728 0.299 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -103.37 -38.0 7.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.98 -20.44 65.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.539 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -63.38 177.29 0.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.417 ' HB3' ' CB ' ' A' ' 51' ' ' GLU . 13.8 m-20 -95.05 118.01 31.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.473 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 82.0 mtm-85 -80.37 -50.94 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.611 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 14.9 mt-10 -64.44 -44.84 89.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.417 ' CB ' ' HB3' ' A' ' 48' ' ' ASN . 8.0 tp10 -58.11 -49.01 78.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.54 -45.25 80.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.624 ' HB1' ' CE3' ' A' ' 78' ' ' TRP . . . -91.28 17.92 7.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 50' ' ' GLU . . . -75.12 -44.67 45.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.422 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 14.2 tp -66.95 -61.22 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.939 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -48.53 -54.79 13.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.582 ' HD3' ' CZ2' ' A' ' 78' ' ' TRP . 1.0 OUTLIER -42.35 -56.45 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.04 -48.34 11.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.583 ' CZ2' ' HE2' ' A' ' 63' ' ' LYS . 39.7 t-105 -62.27 -63.26 1.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 59' ' ' TRP . . . -36.24 -54.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.632 HD21 ' HD1' ' A' ' 66' ' ' PHE . 6.3 mt -71.08 -41.39 70.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -56.19 -66.22 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.583 ' HE2' ' CZ2' ' A' ' 59' ' ' TRP . 10.8 tppt? -68.26 -61.21 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.42 -158.56 34.41 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -136.62 109.74 7.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.632 ' HD1' HD21 ' A' ' 61' ' ' LEU . 1.4 t80 -132.53 159.19 40.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.484 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 26.0 mtt85 -123.79 128.76 50.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 69' ' ' GLY . 5.0 pt-20 -86.87 -31.13 20.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 68' ' ' GLU . . . -92.27 -35.43 6.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.464 HD13 ' HG2' ' A' ' 67' ' ' ARG . 4.9 mp -86.14 -49.32 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 111.112 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -98.93 155.41 17.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.85 127.97 84.41 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 131.89 22.21 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.329 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.546 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 23.1 m-20 -135.11 101.97 11.13 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.603 0.716 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.598 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.1 Cg_exo -48.0 -43.31 30.58 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.246 . . . . 0.0 112.377 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.0 Cg_exo -48.0 -41.91 32.53 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.451 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 16.3 m -67.11 -48.56 67.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.624 ' CE3' ' HB1' ' A' ' 53' ' ' ALA . 4.2 m0 -62.2 -55.0 32.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -53.64 -59.05 5.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.5 m -57.1 -50.51 72.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 77' ' ' THR . 0.7 OUTLIER -40.75 -58.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.4 -48.79 71.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -41.63 -42.56 2.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.67 -44.33 74.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 86' ' ' LEU . . . -59.12 -62.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 85' ' ' ALA . 12.9 tp -35.91 -49.34 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -69.85 -45.13 68.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -52.95 -43.86 66.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.1 t -53.24 117.83 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -81.51 -27.34 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 113' ' ' VAL . 88.3 m-20 -77.68 8.43 4.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.572 ' HE2' HD23 ' A' ' 13' ' ' LEU . 4.4 m-85 -121.07 133.93 55.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.449 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.7 tt0 -109.94 141.35 42.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 1.1 tt0 -93.59 113.05 25.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.807 HD11 ' HB2' ' A' ' 111' ' ' ARG . 26.1 mt -97.49 101.99 13.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.451 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.0 OUTLIER -87.67 -35.68 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -51.62 -40.54 60.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -89.49 -17.66 28.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.451 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 9.2 p -59.8 140.88 56.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.773 ' HB3' HD12 ' A' ' 103' ' ' ILE . 41.1 mm-40 -131.54 102.14 5.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.448 HD11 ' NZ ' ' A' ' 108' ' ' LYS . 8.0 mt -117.45 14.83 14.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -117.9 9.6 12.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.796 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -109.12 167.4 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 103' ' ' ILE . 7.7 m -33.87 -55.13 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.528 ' O ' HD11 ' A' ' 103' ' ' ILE . 0.7 OUTLIER -113.99 104.55 54.93 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.629 0.728 . . . . 0.0 110.851 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 54.1 Cg_endo -69.72 147.7 63.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.38 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.45 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 32.3 p90 -166.29 152.03 8.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.528 ' O ' HG22 ' A' ' 37' ' ' ILE . 19.5 mttm -111.42 123.54 50.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.593 HG12 HD12 ' A' ' 95' ' ' LEU . 94.0 t -85.3 146.07 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.512 ' CE2' ' HB2' ' A' ' 94' ' ' GLU . 9.7 m-85 -139.66 167.94 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.807 ' HB2' HD11 ' A' ' 95' ' ' LEU . 8.4 ttt180 -131.26 126.94 36.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 84.4 mt -72.99 102.52 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.078 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.449 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 3.5 t -77.96 127.04 82.9 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.648 0.737 . . . . 0.0 111.132 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -175.71 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -106.14 141.5 37.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 68.3 m -83.16 106.77 15.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -106.59 146.59 16.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 122.56 9.23 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.707 2.271 . . . . 0.0 112.363 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -82.39 156.03 24.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 49.9 m -96.12 103.52 15.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.449 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t -142.81 135.48 27.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -125.38 109.46 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.11 66.6 3.76 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.549 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t -124.5 110.17 14.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 110.867 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.5 p -70.44 151.58 45.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.53 83.9 1.66 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 9' ' ' LEU . 2.8 mtpm? -90.09 -30.48 17.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.817 0.341 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 8' ' ' LYS . 5.1 tp -33.67 -39.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 92' ' ' PHE . 21.2 ttt-85 -44.27 -67.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -70.57 -49.96 42.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.544 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 76.2 t90 -41.25 -63.7 0.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' GLN . 29.4 tp -56.25 -57.03 13.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.6 mt -42.86 -40.23 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -65.32 -34.39 78.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' LEU . 40.0 mm-40 -71.04 -40.99 71.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.699 HG22 ' CD1' ' A' ' 27' ' ' TRP . 18.4 mt -67.21 -45.44 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -56.76 -44.39 81.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 p -65.87 -37.4 86.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.48 29.89 74.54 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -74.02 -38.28 64.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -88.91 142.1 30.16 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.673 0.749 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 153.45 69.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.282 . . . . 0.0 112.339 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.37 -41.04 2.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.416 HD11 HG12 ' A' ' 17' ' ' ILE . 17.8 tp -72.9 102.23 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.6 m -146.87 148.38 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.699 ' CD1' HG22 ' A' ' 17' ' ' ILE . 99.8 m95 -77.5 116.25 17.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -58.36 -29.7 66.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.441 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 35.0 p30 -120.95 176.47 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -84.35 -31.39 24.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.9 pt-20 -61.47 -13.92 24.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.621 ' CD ' ' CD1' ' A' ' 27' ' ' TRP . 16.7 mmtm 64.78 37.41 7.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.443 ' HB2' HD12 ' A' ' 34' ' ' ILE . 36.6 m -102.96 -37.38 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.443 HD12 ' HB2' ' A' ' 33' ' ' SER . 4.1 mp -115.85 127.6 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.499 ' CG ' HD13 ' A' ' 17' ' ' ILE . 12.0 p90 -131.83 174.62 9.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.491 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 1.7 ptt180 -129.09 136.02 49.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.488 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 2.7 tt -114.22 137.3 22.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.488 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.3 Cg_endo -69.8 117.95 5.39 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.719 2.279 . . . . 0.0 112.292 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.539 ' CD2' ' HD2' ' A' ' 108' ' ' LYS . 4.5 t-105 -112.37 102.81 10.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -126.23 153.36 44.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -84.53 149.88 25.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.23 126.06 32.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 172.49 30.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.432 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 1.8 mmpt? -147.44 138.59 23.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.714 0.292 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.14 -37.99 4.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.32 -30.75 62.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.432 ' CE1' ' O ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -71.38 170.42 13.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.813 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.448 ' ND2' ' HB2' ' A' ' 51' ' ' GLU . 41.7 t-20 -73.8 106.88 5.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -75.2 -61.43 1.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.502 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 9.2 pt-20 -47.38 -36.47 9.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' HB2' ' ND2' ' A' ' 48' ' ' ASN . 36.4 tt0 -64.4 -57.12 10.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.44 ' OD1' ' C ' ' A' ' 52' ' ' ASP . 6.5 t0 -57.62 -35.59 70.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.22 17.89 23.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 50' ' ' GLU . . . -66.49 -32.05 73.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 tp -84.87 -55.2 4.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.581 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 96.6 m-85 -45.36 -49.11 13.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 58' ' ' ALA . 19.6 ptmt -54.32 -50.51 67.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.513 ' N ' ' HG3' ' A' ' 57' ' ' LYS . . . -48.39 -36.7 15.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.544 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 67.4 t-105 -65.99 -46.09 79.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.52 -52.15 54.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.497 HD21 ' HD2' ' A' ' 66' ' ' PHE . 7.0 mt -60.92 -48.0 83.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -61.27 -58.65 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.53 ' HG3' ' CE2' ' A' ' 59' ' ' TRP . 23.4 mmmt -65.13 -63.54 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -82.59 -155.05 16.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 65' ' ' LYS . 1.2 tmtp? -140.32 102.24 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.497 ' HD2' HD21 ' A' ' 61' ' ' LEU . 11.1 t80 -127.21 138.39 53.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.729 ' HB2' HD12 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -101.95 129.43 48.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.474 ' CD ' ' N ' ' A' ' 69' ' ' GLY . 1.3 tm-20 -71.57 146.89 48.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.474 ' N ' ' CD ' ' A' ' 68' ' ' GLU . . . 77.88 -61.06 3.75 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.729 HD12 ' HB2' ' A' ' 67' ' ' ARG . 24.5 mt -53.2 -60.36 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -95.85 139.68 31.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -74.5 119.54 77.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.551 0.691 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.445 ' HB2' ' CH2' ' A' ' 78' ' ' TRP . 53.8 Cg_endo -69.81 160.69 48.77 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.686 2.258 . . . . 0.0 112.338 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.549 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 8.9 t70 -151.55 101.97 2.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.588 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.5 Cg_exo -47.92 -43.31 30.09 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.673 2.249 . . . . 0.0 112.362 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.7 Cg_exo -48.01 -48.93 15.03 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.2 m -62.62 -47.8 82.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.452 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 33.4 m0 -57.02 -43.14 81.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.581 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -66.87 -68.27 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.3 m -42.93 -60.1 1.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 81' ' ' ARG . 2.1 mpt_? -42.03 -52.31 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 83' ' ' ARG . 15.2 tp -64.06 -62.05 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.458 ' CD ' ' HE2' ' A' ' 79' ' ' LYS . 23.4 mtp180 -34.71 -38.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.2 t -69.89 -58.65 3.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -48.78 -49.36 39.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.7 tp -52.57 -41.07 63.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -73.0 -52.35 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -51.6 -50.09 60.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 m -53.84 102.24 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.411 ' C ' ' N ' ' A' ' 92' ' ' PHE . 50.7 t30 -68.96 -43.29 75.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -43.29 -23.72 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.439 ' CZ ' ' HA ' ' A' ' 10' ' ' ARG . 3.2 m-85 -100.59 135.49 41.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.482 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.7 tt0 -109.43 144.68 37.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.556 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 1.0 OUTLIER -100.35 117.73 35.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.918 HD11 ' HB2' ' A' ' 111' ' ' ARG . 18.5 mt -101.67 102.03 12.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.458 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.1 OUTLIER -88.17 -33.89 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -49.98 -39.15 40.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' A' ' 98' ' ' ARG . 5.9 mtt180 -91.29 -14.94 29.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.458 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 34.7 p -60.03 137.09 58.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.503 ' HB2' ' CE2' ' A' ' 107' ' ' TYR . 28.4 mm-40 -125.95 103.67 7.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.1 mt -109.3 -14.25 14.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -89.6 17.81 6.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.52 HD11 ' CE2' ' A' ' 107' ' ' TYR . 11.6 pt -112.85 157.49 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 103' ' ' ILE . 23.2 t -35.93 -43.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 3.1 m-20 -121.19 101.99 43.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.615 0.721 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 54.5 Cg_endo -69.7 140.74 43.63 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.345 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.52 ' CE2' HD11 ' A' ' 103' ' ' ILE . 44.8 p90 -158.03 148.77 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.539 ' HD2' ' CD2' ' A' ' 39' ' ' TRP . 14.9 mttm -107.92 127.04 53.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.476 HG12 HD12 ' A' ' 95' ' ' LEU . 97.2 t -88.49 145.66 7.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 94' ' ' GLU . 11.3 m-85 -136.43 168.23 19.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.918 ' HB2' HD11 ' A' ' 95' ' ' LEU . 6.6 ttt85 -135.87 126.15 26.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 94.2 mt -76.43 102.68 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 2.5 t -74.34 126.18 89.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 111.134 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 179.98 3.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.402 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 116' ' ' SER . 8.5 pt-20 -75.47 -38.72 59.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 15.3 t -155.0 125.94 7.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -77.65 167.44 53.83 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 143.62 51.59 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.5 m -75.21 108.62 8.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.2 t -62.61 -52.65 62.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -133.43 176.07 8.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -92.45 162.72 14.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.0 -132.99 2.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 6' ' ' SER . 47.3 m -125.14 134.52 52.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.848 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 5' ' ' SER . 16.8 m -37.65 -45.55 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -153.42 94.44 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.495 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 7' ' ' GLY . 24.1 mmtt -35.42 -61.39 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 tp -67.23 -42.23 84.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -42.38 -63.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -70.17 -49.85 46.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.569 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 79.9 t90 -41.76 -60.8 1.25 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.478 ' HG ' HD11 ' A' ' 17' ' ' ILE . 54.6 tp -53.88 -58.02 8.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.417 ' HA ' HD12 ' A' ' 17' ' ' ILE . 60.1 mt -42.95 -43.66 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.106 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -60.82 -40.16 91.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -65.79 -44.86 84.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.561 HG22 ' NE1' ' A' ' 27' ' ' TRP . 14.4 mt -64.19 -42.24 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -63.13 -53.75 48.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 p -52.03 -31.7 31.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.5 30.31 76.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -75.01 -39.46 61.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.456 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 2.4 m-85 -90.23 139.78 27.1 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.672 0.749 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.419 ' HD3' ' CG ' ' A' ' 51' ' ' GLU . 54.0 Cg_endo -69.76 149.99 67.61 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.246 . . . . 0.0 112.395 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.89 -46.17 3.64 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.4 tp -64.08 101.97 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.5 m -144.74 146.72 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.095 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.61 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 97.1 m95 -77.68 114.3 16.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.22 -31.22 69.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.462 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 41.3 p30 -121.67 145.23 48.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 31.8 mt-10 -57.28 -35.55 69.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.462 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 8.4 pt-20 -52.42 -15.03 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.61 ' HD3' ' CD1' ' A' ' 27' ' ' TRP . 13.3 mmtp 63.92 35.19 11.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.5 m -104.32 -37.54 7.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.445 HD12 ' ND2' ' A' ' 29' ' ' ASN . 19.1 mt -113.15 145.36 19.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -150.67 174.65 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.577 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 0.5 OUTLIER -127.23 136.17 51.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 108' ' ' LYS . 10.8 tt -113.76 132.1 22.76 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.734 . . . . 0.0 111.099 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 112.3 3.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.371 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -98.1 15.45 24.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -54.72 121.35 8.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.475 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 54.7 t-80 -65.15 169.59 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.475 ' N ' ' CG ' ' A' ' 41' ' ' HIS . . . -79.48 15.5 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.27 -44.65 2.25 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.84 148.49 51.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -108.81 -34.2 6.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -78.11 -0.41 28.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -64.69 125.97 26.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.94 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.407 ' C ' ' HD3' ' A' ' 49' ' ' ARG . 3.2 m120 -53.99 -13.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.586 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER 39.64 32.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.553 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 4.3 pt-20 -117.98 -37.99 3.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.419 ' CG ' ' HD3' ' A' ' 23' ' ' PRO . 2.7 tp10 -79.02 -48.22 14.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -59.53 -47.91 83.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . -74.56 -29.71 61.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 50' ' ' GLU . . . -34.41 -43.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.077 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 10.2 tp -73.89 -67.89 0.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.577 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 89.2 m-85 -42.23 -53.99 3.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.538 ' HG3' ' CE2' ' A' ' 78' ' ' TRP . 59.3 tttt -55.33 -58.77 6.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -39.32 -55.08 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.569 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 57.5 t-105 -49.58 -50.26 43.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.5 76.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.079 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 66' ' ' PHE . 14.6 mt -63.83 -65.66 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.472 ' C ' ' O ' ' A' ' 61' ' ' LEU . 32.0 t80 -32.03 -64.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.45 ' HD3' ' CZ3' ' A' ' 59' ' ' TRP . 19.0 mmmt -52.12 -42.25 63.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 114.73 43.54 0.74 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.545 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -102.38 -34.93 9.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.561 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 77.9 t80 -122.08 166.54 14.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.553 ' HB3' HD12 ' A' ' 70' ' ' ILE . 17.2 mmt180 -141.95 105.41 4.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -52.28 110.82 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.89 -41.17 2.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.553 HD12 ' HB3' ' A' ' 67' ' ' ARG . 74.3 mt -77.71 -63.1 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.561 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 1.7 t70 -89.2 176.3 7.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -90.66 126.43 56.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.599 0.714 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 109.93 2.42 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.541 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 30.0 m-20 -127.56 101.98 23.6 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.58 0.705 . . . . 0.0 110.857 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.597 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.3 Cg_exo -47.92 -43.49 29.65 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 63.9 Cg_exo -47.93 -49.14 14.43 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.458 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 88.6 m -60.53 -47.41 86.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.573 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 14.5 m0 -61.75 -54.2 45.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.577 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 24.4 ttmt -57.33 -55.9 28.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.9 m -57.38 -48.41 79.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 77' ' ' THR . 2.4 mmp_? -50.75 -56.49 11.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 38.7 tp -63.63 -41.3 98.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -52.26 -49.8 63.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.82 -44.01 97.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.51 -51.69 68.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.1 tp -45.03 -40.76 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -77.55 -46.53 22.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -53.22 -42.9 66.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.5 p -54.63 111.11 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -74.94 -30.14 61.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.1 m-20 -75.61 10.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.414 ' HE2' HD23 ' A' ' 13' ' ' LEU . 5.7 m-85 -124.94 133.83 52.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.475 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.5 tt0 -110.38 136.57 49.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 110' ' ' TYR . 0.8 OUTLIER -88.0 112.14 22.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.856 HD11 ' HB2' ' A' ' 111' ' ' ARG . 29.6 mt -96.57 102.04 13.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.476 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.0 OUTLIER -89.01 -34.25 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -51.08 -40.92 59.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -89.89 -14.3 34.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.476 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 21.7 p -61.38 129.94 43.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.91 ' HB3' HD12 ' A' ' 103' ' ' ILE . 10.6 mm-40 -122.1 102.0 7.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.1 mt -118.02 10.47 13.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -112.11 5.06 18.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.91 HD12 ' HB3' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -105.02 168.0 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 103' ' ' ILE . 29.9 m -32.03 -59.39 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.544 ' O ' HD11 ' A' ' 103' ' ' ILE . 10.0 m-20 -111.68 105.46 56.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.4 Cg_endo -69.73 149.35 66.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.279 . . . . 0.0 112.314 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.577 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 44.8 p90 -167.45 153.78 7.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.594 ' O ' HG22 ' A' ' 37' ' ' ILE . 63.4 mttt -112.2 126.58 55.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.504 HG12 HD12 ' A' ' 95' ' ' LEU . 89.5 t -89.07 148.47 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 94' ' ' GLU . 8.7 m-85 -140.57 170.64 15.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.856 ' HB2' HD11 ' A' ' 95' ' ' LEU . 12.4 ttt180 -135.16 124.62 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 79.3 mt -71.11 104.0 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 91' ' ' ASP . 5.0 t -80.06 122.68 83.34 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -174.94 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.272 . . . . 0.0 112.355 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -106.53 175.07 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.2 t -152.15 116.74 5.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -93.88 153.38 21.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 5.36 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 21.8 m -65.3 -59.08 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.7 m -116.16 123.74 48.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 m -82.7 177.68 8.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 0.0 110.867 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -68.12 173.47 4.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.06 55.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 t -64.36 -51.48 63.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.844 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 m 53.91 42.63 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.22 109.81 0.67 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.33 -49.36 7.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 10' ' ' ARG . 8.4 tp -75.23 -42.74 54.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 9' ' ' LEU . 3.3 tmt_? -35.8 -66.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' TRP . 3.6 tp-100 -71.86 -53.77 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.424 ' C ' ' O ' ' A' ' 11' ' ' GLN . 91.5 t90 -36.58 -61.52 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 16' ' ' GLN . 39.5 tp -52.96 -60.74 2.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.3 mt -42.08 -42.82 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.44 -38.63 81.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.462 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 40.7 mm-40 -68.8 -43.31 75.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.577 HG22 ' NE1' ' A' ' 27' ' ' TRP . 20.1 mt -66.01 -51.66 57.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -52.44 -47.52 66.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.1 p -62.43 -34.57 77.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.9 27.57 71.44 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -72.39 -37.88 68.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.5 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 2.7 m-85 -87.57 141.81 32.43 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.725 0.774 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 147.16 62.44 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.689 2.259 . . . . 0.0 112.299 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.13 -38.49 2.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.3 tp -69.87 108.06 3.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 110.945 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.5 m -156.41 149.73 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.629 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 89.5 m95 -77.83 121.16 23.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -63.88 -26.21 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.449 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 33.4 p30 -124.44 168.07 13.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.13 -30.07 49.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.449 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.2 pt-20 -57.35 -13.58 3.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.629 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 2.2 mmmm 63.01 35.21 13.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.1 m -106.19 -37.39 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.429 HD12 ' ND2' ' A' ' 29' ' ' ASN . 19.7 mt -111.58 140.6 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.153 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.423 ' CG ' HD13 ' A' ' 17' ' ' ILE . 22.6 p90 -145.43 166.72 24.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.545 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 0.9 OUTLIER -121.47 134.12 55.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.462 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 7.7 tt -115.32 136.13 22.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.462 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 54.1 Cg_endo -69.76 113.16 3.28 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.38 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -94.13 16.68 14.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.448 ' CE ' ' HD2' ' A' ' 106' ' ' PRO . 16.4 ttmt -56.61 108.31 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.636 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 18.4 p-80 -81.43 -60.17 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.636 ' N ' ' CG ' ' A' ' 41' ' ' HIS . . . -160.14 101.96 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.13 -59.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.482 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.553 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 13.4 mmtm -60.5 170.95 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.702 0.286 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -141.79 144.92 34.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t0 52.53 32.0 10.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.553 ' CD1' ' HB3' ' A' ' 44' ' ' LYS . 19.5 p90 -105.11 171.9 7.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -73.06 102.45 3.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.5 ttp180 -84.79 -41.56 16.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -42.81 -51.51 5.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -54.44 -55.34 29.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -56.75 -18.58 13.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.31 -29.11 13.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.62 -42.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.5 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 29.2 tp -71.89 -60.66 2.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -51.0 -59.26 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.401 ' HG3' ' CE3' ' A' ' 78' ' ' TRP . 19.5 mtpp -52.07 -58.68 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -38.11 -43.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.419 ' CH2' ' HD3' ' A' ' 63' ' ' LYS . 31.0 t-105 -55.68 -55.91 26.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.82 -61.6 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.7 mt -46.8 -36.88 7.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -70.74 -57.43 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.419 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 2.3 mmmp? -49.8 -59.21 4.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -125.07 -143.25 6.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.06 105.97 8.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.517 ' CE1' ' HA ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -117.23 131.26 56.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.7 ' HD2' HD12 ' A' ' 70' ' ' ILE . 24.8 mmt180 -90.44 104.16 16.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.517 ' HA ' ' CE1' ' A' ' 66' ' ' PHE . 3.6 pm0 -70.0 -32.56 70.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.37 -37.28 15.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.7 HD12 ' HD2' ' A' ' 67' ' ' ARG . 80.9 mt -86.03 -58.8 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 111.154 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -83.04 129.81 35.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -59.31 120.7 50.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.628 0.728 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 136.72 33.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.62 2.214 . . . . 0.0 112.368 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.533 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 20.1 m-20 -135.81 102.08 10.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.58 0.705 . . . . 0.0 110.823 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.596 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 66.0 Cg_exo -48.03 -43.41 30.49 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.334 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.0 Cg_exo -47.93 -27.46 8.73 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.659 2.239 . . . . 0.0 112.373 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.8 m -81.71 -47.09 13.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.472 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 6.2 m0 -63.58 -51.1 66.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -56.13 -53.86 52.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.485 ' HA ' ' CD ' ' A' ' 83' ' ' ARG . 62.2 m -59.99 -38.45 82.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -60.91 -61.59 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.8 tp -56.5 -62.42 1.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.487 ' HG3' ' N ' ' A' ' 84' ' ' CYS . 8.9 ptm180 -39.3 -41.7 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.487 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 9.7 m -61.87 -53.6 53.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.15 -38.57 83.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.7 tp -56.2 -40.85 74.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -81.7 -47.34 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -51.66 -42.9 62.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.4 p -52.11 104.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -63.68 -27.91 69.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.33 11.41 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -125.7 140.26 52.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.471 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 3.1 tt0 -116.74 141.63 47.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.542 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 2.4 tt0 -96.9 115.52 27.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.762 HD12 HG12 ' A' ' 109' ' ' VAL . 13.1 mt -98.9 101.95 13.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 96' ' ' VAL . 0.1 OUTLIER -86.55 -42.62 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.849 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -43.64 -35.96 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -93.34 -22.73 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 m -54.39 131.47 42.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 23.0 mm-40 -125.39 109.33 12.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.4 mt -115.06 -13.78 11.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -88.97 13.58 12.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.45 ' O ' ' C ' ' A' ' 104' ' ' SER . 49.7 pt -109.84 156.35 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 103' ' ' ILE . 46.4 t -33.69 -51.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.403 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 22.8 t0 -114.42 101.97 54.53 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.618 0.723 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 54.2 Cg_endo -69.69 148.44 65.52 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.361 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.545 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 30.5 p90 -164.94 152.15 11.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -111.28 133.23 53.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.762 HG12 HD12 ' A' ' 95' ' ' LEU . 52.9 t -97.51 135.41 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.542 ' CE2' ' HB2' ' A' ' 94' ' ' GLU . 12.6 m-85 -131.02 152.99 49.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.647 ' HB2' HD11 ' A' ' 95' ' ' LEU . 10.4 ttt85 -116.25 127.81 55.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 92.9 mt -73.18 102.8 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 4.7 t -79.71 127.34 78.14 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.635 0.731 . . . . 0.0 111.129 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -178.1 2.19 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -91.41 162.95 14.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 66.7 p 52.0 40.23 27.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -69.37 165.26 49.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 5.03 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.343 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.6 t -64.02 122.43 16.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 87.8 p -77.58 -50.19 13.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.456 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -136.77 123.14 20.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.933 0.396 . . . . 0.0 110.877 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.0 t -142.12 130.15 21.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.36 114.55 1.22 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 6' ' ' SER . 82.7 p -81.73 136.37 35.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.874 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 5' ' ' SER . 72.1 p -35.02 -46.75 0.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.92 143.96 3.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.438 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.475 ' O ' ' C ' ' A' ' 9' ' ' LEU . 17.2 tptm -143.86 156.94 44.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 8' ' ' LYS . 17.9 tp -32.14 -48.36 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.928 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.5 ' O ' HD12 ' A' ' 14' ' ' ILE . 19.2 tpt85 -37.85 -68.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -79.83 -44.77 19.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.425 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 88.8 t90 -41.42 -65.69 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 16' ' ' GLN . 52.2 tp -54.68 -61.88 2.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.848 ' HA ' HD12 ' A' ' 17' ' ' ILE . 92.5 mt -40.71 -40.34 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -64.34 -39.46 93.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 13' ' ' LEU . 45.9 mm-40 -63.89 -36.68 84.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 14' ' ' ILE . 7.2 mt -68.94 -49.72 60.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -53.03 -56.28 17.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.8 p -52.46 -33.05 42.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.65 30.58 77.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.544 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -75.04 -39.46 60.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.545 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 2.7 m-85 -90.71 140.95 26.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.714 0.768 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 150.26 67.96 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.634 2.223 . . . . 0.0 112.353 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.17 -32.41 3.03 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.539 ' CD1' ' CE1' ' A' ' 35' ' ' PHE . 13.2 tp -77.77 104.56 8.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.9 m -155.13 145.72 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.623 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 85.4 m95 -77.51 124.84 28.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -68.81 -26.61 65.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.444 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 36.5 p30 -123.16 170.79 9.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.42 -31.79 42.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.444 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.0 pt-20 -56.29 -13.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.623 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 2.2 mmmp? 62.94 32.01 15.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.0 m -105.85 -37.57 6.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.507 HG23 HD12 ' A' ' 95' ' ' LEU . 74.8 mt -106.73 131.01 57.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.539 ' CE1' ' CD1' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -144.18 163.82 32.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -114.64 132.74 56.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.495 ' HB ' ' CE1' ' A' ' 35' ' ' PHE . 14.3 tt -113.28 133.25 22.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.662 0.744 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 111.09 2.71 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.748 2.299 . . . . 0.0 112.309 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.458 ' CD2' ' HD2' ' A' ' 108' ' ' LYS . 3.2 t-105 -104.48 101.95 11.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.946 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.48 ' CG ' ' HG2' ' A' ' 106' ' ' PRO . 7.2 mtpm? -145.31 108.01 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.47 ' ND1' ' N ' ' A' ' 41' ' ' HIS . 0.0 OUTLIER -54.09 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' GLY . . . -117.41 -31.73 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . 35.31 -130.12 0.69 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.23 166.85 20.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.746 0.308 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -113.39 -37.95 4.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -60.16 -30.71 69.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -59.58 153.56 19.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.804 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -54.3 119.68 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -86.55 -44.51 11.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 10.5 pt-20 -66.43 -48.93 68.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.26 -49.7 76.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.02 -43.92 81.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 49' ' ' ARG . . . -87.76 17.75 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.08 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 50' ' ' GLU . . . -74.6 -45.28 46.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.545 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 9.5 tp -59.01 -49.0 79.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.778 ' CD1' HD23 ' A' ' 82' ' ' LEU . 95.1 m-85 -61.31 -59.57 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.585 ' HD3' ' CH2' ' A' ' 78' ' ' TRP . 18.3 tptm -40.3 -54.32 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -44.49 -54.49 5.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.58 ' CZ2' ' HG3' ' A' ' 63' ' ' LYS . 64.6 t-105 -53.06 -54.29 37.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.447 ' CB ' ' CD1' ' A' ' 78' ' ' TRP . . . -42.22 -44.08 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 66' ' ' PHE . 7.9 mt -76.42 -39.42 53.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.407 ' CD2' ' CZ3' ' A' ' 59' ' ' TRP . 58.7 t80 -52.52 -53.43 46.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.58 ' HG3' ' CZ2' ' A' ' 59' ' ' TRP . 5.3 mmmm -97.65 -58.31 2.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.36 -38.13 61.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.41 ' O ' ' HD3' ' A' ' 65' ' ' LYS . 1.0 OUTLIER 65.61 38.74 5.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.787 0.327 . . . . 0.0 110.886 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.54 ' O ' HD23 ' A' ' 61' ' ' LEU . 1.7 t80 -59.3 149.24 29.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.419 ' HB3' HD12 ' A' ' 70' ' ' ILE . 3.8 mpt_? -103.83 113.75 27.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.49 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 7.9 tt0 -65.0 108.5 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.05 -51.09 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.419 HD12 ' HB3' ' A' ' 67' ' ' ARG . 60.1 mt -68.28 -50.86 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 0.0 111.093 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.443 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 3.9 m-20 -100.24 164.53 11.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -91.09 123.4 64.62 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.558 0.694 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 125.32 12.02 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.543 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 1.2 p30 -131.71 102.03 15.28 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.602 0.715 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.584 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.9 Cg_exo -48.04 -43.22 31.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.364 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.0 Cg_exo -48.02 -38.41 31.7 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.695 2.264 . . . . 0.0 112.35 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.941 HG22 ' HD3' ' A' ' 81' ' ' ARG . 2.2 m -74.62 -48.21 27.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.585 ' CH2' ' HD3' ' A' ' 57' ' ' LYS . 12.5 m0 -53.4 -44.05 68.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -63.34 -43.88 96.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.931 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.5 m -65.48 -54.97 20.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.156 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.941 ' HD3' HG22 ' A' ' 77' ' ' THR . 2.4 mpt_? -51.49 -17.98 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.778 HD23 ' CD1' ' A' ' 56' ' ' PHE . 21.8 tp -94.81 -43.06 8.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.446 ' HG2' ' CH2' ' A' ' 39' ' ' TRP . 49.5 mtt180 -66.69 -40.74 88.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 81' ' ' ARG . 7.4 p -48.59 -52.61 22.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.35 -48.75 63.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.1 tp -42.91 -37.9 2.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -79.43 -45.8 18.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -51.24 -35.9 39.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.4 m -52.24 114.46 1.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -86.51 -28.35 23.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 113' ' ' VAL . 24.7 m-20 -78.02 10.0 3.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -106.33 140.2 39.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.7 tt0 -109.83 149.4 29.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.548 ' HG2' HG12 ' A' ' 96' ' ' VAL . 10.5 tt0 -96.77 110.45 22.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.76 HD12 HG12 ' A' ' 109' ' ' VAL . 14.3 mt -96.58 18.0 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.548 HG12 ' HG2' ' A' ' 94' ' ' GLU . 7.0 p -33.09 -33.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 95' ' ' LEU . 73.1 mt-10 -46.8 -44.41 19.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -90.16 -22.83 21.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.411 ' HB2' ' HA ' ' A' ' 108' ' ' LYS . 54.2 p -52.1 144.92 11.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.451 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 9.0 mm-40 -128.2 107.87 10.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.6 mt -115.93 15.38 16.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -118.03 17.52 14.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.797 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -117.09 172.1 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.7 m -39.62 -59.49 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.42 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 58.8 m-20 -111.53 102.8 54.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.484 ' HA ' HD11 ' A' ' 103' ' ' ILE . 53.7 Cg_endo -69.82 150.82 68.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.651 2.234 . . . . 0.0 112.375 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.451 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 49.9 p90 -161.87 150.47 15.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.458 ' HD2' ' CD2' ' A' ' 39' ' ' TRP . 40.5 mttm -112.35 122.31 47.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.76 HG12 HD12 ' A' ' 95' ' ' LEU . 57.3 t -87.37 132.2 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -132.41 151.3 51.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.749 ' HB2' HD11 ' A' ' 95' ' ' LEU . 13.6 ttt180 -120.82 118.74 30.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 88.2 mt -70.51 102.09 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 91' ' ' ASP . 2.9 t -76.3 127.56 84.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 0.0 111.12 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -177.09 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -70.07 150.63 46.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 80.7 p -76.75 176.9 8.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -141.72 176.64 21.81 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 8.29 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.361 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.5 m -117.18 120.53 38.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.3 m -120.22 121.31 38.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -57.99 -61.05 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.908 0.385 . . . . 0.0 110.87 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -151.64 107.8 3.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.5 178.99 46.1 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -96.42 174.63 6.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.87 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 t -82.87 155.51 24.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.28 101.68 2.59 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -146.22 132.35 19.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.813 0.34 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.513 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 5.0 tp -73.07 -47.18 46.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -39.37 -64.12 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' TRP . 10.0 tp60 -66.27 -54.58 23.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.576 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 69.9 t90 -37.83 -62.7 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.437 ' N ' ' CE3' ' A' ' 12' ' ' TRP . 48.3 tp -54.13 -63.34 1.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.593 ' HA ' HD12 ' A' ' 17' ' ' ILE . 72.9 mt -41.15 -40.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -64.7 -39.85 94.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 13' ' ' LEU . 50.3 mm-40 -62.71 -42.09 99.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.654 HG22 ' CD1' ' A' ' 27' ' ' TRP . 16.4 mt -63.24 -48.24 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -53.73 -56.23 19.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 p -52.75 -33.94 50.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.96 28.58 70.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -71.87 -38.28 70.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -86.51 140.04 33.8 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.668 0.747 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 136.63 33.48 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.56 -36.87 3.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 tp -72.97 105.11 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.4 m -153.59 147.05 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.654 ' CD1' HG22 ' A' ' 17' ' ' ILE . 87.6 m95 -78.2 122.41 25.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -65.68 -26.78 67.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.53 ' ND2' HD12 ' A' ' 34' ' ' ILE . 24.9 p30 -123.12 178.19 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -85.92 -30.75 22.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.462 ' CG ' ' ND2' ' A' ' 29' ' ' ASN . 7.7 pt-20 -55.44 -16.98 4.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.654 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 4.1 mmmm 64.56 36.88 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.4 p -111.0 -33.84 6.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.53 HD12 ' ND2' ' A' ' 29' ' ' ASN . 18.1 mt -110.43 139.03 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -150.63 172.66 15.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -124.36 136.63 54.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.686 HG22 ' O ' ' A' ' 108' ' ' LYS . 10.0 tt -113.58 132.55 22.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.639 0.733 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD2' HG13 ' A' ' 37' ' ' ILE . 54.0 Cg_endo -69.81 115.9 4.32 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.406 ' O ' ' HB2' ' A' ' 106' ' ' PRO . 1.4 t-105 -117.67 101.98 8.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.485 ' HD2' ' CG ' ' A' ' 106' ' ' PRO . 7.8 tptp -111.95 136.84 50.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -96.89 168.47 10.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.62 108.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -172.03 -90.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.559 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 28.0 mttt -70.7 125.68 27.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.704 0.288 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.467 ' HG3' ' CZ ' ' A' ' 49' ' ' ARG . 14.9 tt0 -92.94 -45.55 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' GLN . 33.3 t0 -37.54 -37.64 0.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.559 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 0.5 OUTLIER -56.98 144.38 34.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.845 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -56.08 121.64 9.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.471 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 43.8 mtt180 -97.29 -45.28 6.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -69.83 -45.27 68.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -55.17 -44.9 75.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -40.5 82.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . -69.32 -31.98 70.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -34.5 -54.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.8 tp -57.71 -64.71 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -45.22 -58.37 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.563 ' HD2' ' CH2' ' A' ' 78' ' ' TRP . 72.9 tttt -48.48 -52.51 21.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.43 -48.58 13.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.576 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 28.9 t-105 -53.16 -61.03 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -42.53 -57.49 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.091 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.499 HD21 ' CD2' ' A' ' 66' ' ' PHE . 11.0 mt -57.68 -55.63 32.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 61' ' ' LEU . 84.9 t80 -32.25 -56.48 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.56 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 8.8 mmmm -67.44 -43.13 81.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 116.54 48.51 0.46 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -110.02 -30.95 7.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.499 ' CD2' HD21 ' A' ' 61' ' ' LEU . 56.4 t80 -105.89 152.3 23.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.522 ' HG2' HD12 ' A' ' 70' ' ' ILE . 2.9 tpt180 -127.84 102.16 6.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -65.23 117.16 7.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.59 -40.73 2.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.54 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.522 HD12 ' HG2' ' A' ' 67' ' ' ARG . 77.6 mt -90.83 -51.42 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -98.82 127.48 44.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.24 132.59 60.91 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.603 0.716 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.492 ' HA ' ' CE1' ' A' ' 66' ' ' PHE . 53.7 Cg_endo -69.78 132.23 22.87 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.356 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.541 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 1.2 m-20 -141.47 103.07 5.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.611 0.72 . . . . 0.0 110.868 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.587 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.3 Cg_exo -48.06 -43.33 30.88 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.658 2.238 . . . . 0.0 112.34 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.0 Cg_exo -48.01 -56.63 2.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.26 . . . . 0.0 112.356 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.6 m -53.65 -45.88 70.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.581 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 21.1 m0 -62.04 -56.29 20.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -52.35 -61.03 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.8 m -49.58 -50.02 44.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -47.8 -64.84 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.9 tp -55.48 -54.35 44.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.405 ' HG2' ' CH2' ' A' ' 39' ' ' TRP . 43.6 mtp180 -40.44 -44.57 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.86 -48.5 71.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' LEU . . . -55.38 -62.33 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' ALA . 23.2 tp -34.1 -52.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -65.58 -47.61 75.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -51.73 -39.04 57.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.5 t -52.26 116.39 2.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -85.97 -31.21 22.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -76.02 7.26 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -114.13 139.47 49.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 0.7 OUTLIER -112.03 150.98 29.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.514 ' HG3' ' CZ ' ' A' ' 110' ' ' TYR . 4.1 tt0 -94.39 126.46 39.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.939 HD12 HG12 ' A' ' 109' ' ' VAL . 66.8 mt -105.97 20.72 18.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.549 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.1 OUTLIER -31.98 -35.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 95' ' ' LEU . 17.5 mt-10 -47.22 -45.17 23.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -89.33 -17.87 28.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.549 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 33.7 p -52.05 147.79 6.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.924 ' HB3' HD12 ' A' ' 103' ' ' ILE . 37.7 mm-40 -135.85 102.1 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.0 mt -113.99 11.07 17.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -116.67 18.04 15.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.924 HD12 ' HB3' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -117.27 172.83 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 103' ' ' ILE . 5.3 m -34.92 -60.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -113.89 107.9 51.81 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.584 0.706 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.485 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.6 Cg_endo -69.79 149.76 67.1 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 100' ' ' GLN . 49.0 p90 -168.3 154.29 7.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.978 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.686 ' O ' HG22 ' A' ' 37' ' ' ILE . 45.6 mttm -116.35 126.0 52.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.939 HG12 HD12 ' A' ' 95' ' ' LEU . 42.5 t -90.48 143.45 11.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.514 ' CZ ' ' HG3' ' A' ' 94' ' ' GLU . 11.7 m-85 -137.32 158.95 43.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.568 ' HB2' HD11 ' A' ' 95' ' ' LEU . 13.1 ttt180 -124.56 122.22 36.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.9 mt -74.39 105.88 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 3.5 t -77.75 123.42 86.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.64 0.733 . . . . 0.0 111.134 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -174.38 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.741 2.294 . . . . 0.0 112.359 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -85.12 -49.85 7.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.9 p -83.85 153.86 23.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 159.06 -165.53 34.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.447 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -179.68 3.07 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.721 2.281 . . . . 0.0 112.345 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t -92.53 159.14 15.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.824 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.8 t -97.27 -48.56 5.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.435 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 1' ' ' GLY . 58.3 m -37.69 -53.92 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.353 . . . . 0.0 110.793 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -82.17 -60.5 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.61 119.54 0.79 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 t -92.4 -44.31 8.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 0.0 110.888 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -70.85 170.29 12.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.5 -43.08 1.73 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.27 -50.48 50.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.822 0.344 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.568 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 4.8 tp -40.18 -39.79 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.7 tpt85 -42.87 -66.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -76.88 -46.54 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.8 t90 -40.62 -67.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.693 HD21 ' CZ ' ' A' ' 35' ' ' PHE . 24.3 tp -51.35 -62.39 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 93.2 mt -35.8 -48.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -49.37 -50.27 40.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.475 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 10.7 mm-40 -61.21 -55.47 31.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.736 HD13 ' CD1' ' A' ' 35' ' ' PHE . 20.0 mt -47.79 -41.45 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.54 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 4.7 t0 -72.02 -66.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.434 ' HB2' ' CG ' ' A' ' 21' ' ' LYS . 9.1 p -42.77 -28.13 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.17 32.41 60.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' CG ' ' HB2' ' A' ' 19' ' ' SER . 25.8 mtmt -73.35 -36.82 66.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.576 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 14.9 m-85 -86.32 139.61 34.12 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.688 0.756 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.52 50.98 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.88 -48.52 3.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.457 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -66.91 121.83 16.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.642 ' N ' HD22 ' A' ' 25' ' ' LEU . 33.5 m -162.72 169.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.689 ' CD1' HG22 ' A' ' 17' ' ' ILE . 96.9 m95 -92.63 122.04 34.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' ILE . 8.0 mt-10 -59.98 -29.73 68.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.448 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 33.9 p30 -125.34 175.95 7.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -82.14 -31.97 30.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 11.7 pt-20 -61.19 -14.06 22.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.655 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 18.9 mmtm 65.08 35.79 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.2 t -100.04 -41.42 7.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.9 mp -114.0 109.96 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.736 ' CD1' HD13 ' A' ' 17' ' ' ILE . 20.8 p90 -117.32 162.07 18.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.432 ' HB2' ' CD2' ' A' ' 107' ' ' TYR . 1.0 OUTLIER -123.97 129.09 50.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.655 HD11 ' CD2' ' A' ' 55' ' ' LEU . 11.6 tt -111.82 135.9 21.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.637 0.732 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.2 Cg_endo -69.75 115.83 4.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.434 ' O ' ' HG2' ' A' ' 106' ' ' PRO . 3.4 t-105 -110.69 101.98 10.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -156.99 163.22 39.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -136.09 102.23 4.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.02 -67.48 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.63 -43.04 1.79 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -64.18 161.81 15.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.426 ' HG3' ' NH2' ' A' ' 49' ' ' ARG . 12.5 mp0 -117.56 -33.8 4.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -59.0 -23.32 61.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.487 ' CE1' ' HG2' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -80.8 175.73 10.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.838 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -71.23 109.72 5.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.487 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 11.8 mmt85 -88.55 -44.72 10.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' ALA . 4.7 pt-20 -52.38 -39.33 60.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.44 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -66.44 -58.24 5.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -55.92 -38.53 70.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.63 17.99 23.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -57.69 -37.97 74.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.655 ' CD2' HD11 ' A' ' 37' ' ' ILE . 5.4 tp -73.96 -50.24 20.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CD1' HD23 ' A' ' 82' ' ' LEU . 62.8 m-85 -59.35 -50.05 75.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.475 ' HD2' ' CH2' ' A' ' 78' ' ' TRP . 65.1 tttt -53.15 -51.04 63.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -43.68 -39.99 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 9' ' ' LEU . 44.5 t-105 -53.47 -63.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.54 -66.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.09 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.428 HD12 ' HG2' ' A' ' 57' ' ' LYS . 15.1 mt -43.48 -41.06 4.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.484 ' CD2' ' N ' ' A' ' 63' ' ' LYS . 5.9 t80 -66.45 -67.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.54 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 12.8 mmmm -35.53 -63.81 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -118.7 -139.6 6.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -130.73 105.04 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.343 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -117.09 153.97 31.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.887 ' HG2' HD12 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -119.11 134.56 55.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 69' ' ' GLY . 4.5 pt-20 -90.89 -28.33 18.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.404 ' N ' ' HG3' ' A' ' 68' ' ' GLU . . . -82.28 -39.73 10.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.887 HD12 ' HG2' ' A' ' 67' ' ' ARG . 17.7 mt -84.23 -62.25 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 111.153 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.64 148.65 30.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.815 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -77.18 122.04 85.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.559 0.695 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 136.97 34.14 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.547 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 5.7 m-20 -139.46 102.12 7.31 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.582 0.706 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.599 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.4 Cg_exo -47.93 -43.4 29.96 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.374 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.3 Cg_exo -47.99 -31.71 16.48 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.32 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.3 m -76.67 -48.52 18.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.158 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.523 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 9.2 m0 -61.68 -47.37 85.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -57.8 -56.06 26.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.0 m -59.87 -57.46 12.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.0 mmt-85 -39.5 -64.6 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 83' ' ' ARG . 61.5 tp -60.78 -63.97 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 82' ' ' LEU . 29.6 ttt180 -35.09 -62.18 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.6 t -38.56 -62.17 0.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 87' ' ' ASN . . . -48.33 -62.09 1.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 85' ' ' ALA . 28.9 tp -33.48 -34.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ALA . 16.8 t-20 -81.4 -56.69 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -50.53 -45.98 57.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.2 m -52.07 115.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' PHE . 33.8 m120 -82.17 -37.88 25.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.8 p30 -38.42 -29.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 90' ' ' ASN . 17.4 m-30 -101.49 153.53 19.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.428 ' HB2' HG22 ' A' ' 113' ' ' VAL . 1.2 tp10 -112.76 150.54 31.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -83.06 108.77 16.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.753 HD12 HG12 ' A' ' 109' ' ' VAL . 23.8 mt -97.22 17.98 16.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 95' ' ' LEU . 10.0 p -35.72 -28.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 95' ' ' LEU . 48.8 mt-10 -48.28 -43.8 33.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -91.77 -18.74 23.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.2 m -52.52 131.38 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 14.6 mm-40 -123.53 105.01 9.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.3 mt -106.15 -11.27 16.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -92.15 17.98 8.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 104' ' ' SER . 33.3 pt -113.28 161.5 12.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 103' ' ' ILE . 8.1 t -37.08 -53.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -114.77 102.0 54.65 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.65 0.738 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 54.0 Cg_endo -69.7 148.06 64.63 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.373 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.441 ' HA ' ' O ' ' A' ' 37' ' ' ILE . 47.9 p90 -161.98 148.05 13.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.961 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -109.77 123.65 49.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.753 HG12 HD12 ' A' ' 95' ' ' LEU . 44.9 t -92.5 146.59 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -144.33 148.43 34.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.75 ' HB2' HD11 ' A' ' 95' ' ' LEU . 8.4 ttt180 -114.07 122.91 48.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 79.0 mt -71.17 102.04 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.428 HG22 ' HB2' ' A' ' 93' ' ' GLU . 2.5 t -72.3 121.83 85.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.7 . . . . 0.0 111.149 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -175.32 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 116' ' ' SER . 8.2 pt-20 -63.87 -42.81 97.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.451 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 5.7 t -127.16 103.62 7.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -55.19 167.21 2.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 94.86 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.726 2.284 . . . . 0.0 112.328 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 63.7 p -162.3 155.88 20.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 92.2 p -66.17 169.12 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -67.06 162.9 21.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -101.72 144.72 30.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.56 -46.79 1.26 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.519 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 m 62.61 42.64 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -135.19 128.45 32.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.26 126.78 2.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.441 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 12' ' ' TRP . 18.6 tptt -133.77 106.74 7.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.421 HD22 ' HB1' ' A' ' 85' ' ' ALA . 8.1 tp -84.96 -48.7 9.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.3 ttt-85 -45.15 -67.04 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' TRP . 3.9 tp60 -60.8 -62.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.559 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 81.7 t90 -36.23 -56.8 0.75 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.2 tp -57.3 -57.17 13.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.542 ' HA ' HD12 ' A' ' 17' ' ' ILE . 57.6 mt -47.26 -41.35 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -61.35 -36.73 81.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -66.74 -41.3 88.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 14' ' ' ILE . 9.5 mt -68.66 -49.17 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -51.46 -47.21 63.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.4 p -59.61 -34.61 72.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.827 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.29 26.41 70.55 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.442 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -71.73 -39.73 69.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.441 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 2.9 m-85 -88.99 142.26 30.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.718 0.771 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 153.35 68.95 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.346 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.71 -39.73 2.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.48 ' HG ' HG23 ' A' ' 17' ' ' ILE . 13.9 tp -69.84 104.67 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.8 m -153.32 149.65 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.626 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 96.8 m95 -77.35 119.36 20.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -59.41 -28.07 66.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.456 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 30.9 p30 -122.45 178.03 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -87.45 -27.94 22.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.456 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 8.9 pt-20 -62.22 -13.04 23.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.626 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 4.3 mmmm 64.19 38.06 8.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.8 m -104.79 -38.01 6.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.413 HD12 HD21 ' A' ' 29' ' ' ASN . 4.4 mp -114.92 142.19 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -147.44 173.61 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -129.42 135.48 48.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.457 HG13 ' HD2' ' A' ' 38' ' ' PRO . 12.3 tt -115.87 134.17 22.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.727 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.9 Cg_endo -69.7 110.35 2.52 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.721 2.281 . . . . 0.0 112.314 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -92.17 18.03 8.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.508 ' CD ' ' HD2' ' A' ' 106' ' ' PRO . 7.0 mmtt -51.97 120.72 5.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.612 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 10.6 p-80 -84.88 -52.61 5.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.612 ' N ' ' CG ' ' A' ' 41' ' ' HIS . . . -170.69 177.94 3.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 156.14 -48.77 0.47 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.457 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 47' ' ' TYR . 17.7 mmmt -79.62 162.06 25.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.322 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -117.99 -37.65 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -95.35 11.32 33.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.462 ' HB3' ' CB ' ' A' ' 44' ' ' LYS . 22.5 p90 -72.78 173.56 8.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -110.86 108.27 18.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' GLU . 26.9 mtt85 -56.55 -54.87 40.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 28.7 tt0 -37.13 -42.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -69.33 -49.56 54.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.85 -39.28 77.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.8 17.99 22.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 50' ' ' GLU . . . -61.0 -44.23 97.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.441 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 13.9 tp -71.31 -50.3 33.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 97.1 m-85 -54.99 -42.55 72.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.553 ' HD3' ' CZ2' ' A' ' 78' ' ' TRP . 2.3 mmmp? -51.31 -64.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 62' ' ' PHE . . . -43.31 -36.55 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.642 ' CG ' HD13 ' A' ' 82' ' ' LEU . 72.9 t-105 -69.26 -48.21 62.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.69 99.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.6 HD21 ' HD1' ' A' ' 66' ' ' PHE . 6.4 mt -73.92 -39.86 63.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.411 ' CB ' ' O ' ' A' ' 58' ' ' ALA . 44.2 t80 -66.54 -56.23 11.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.532 ' HG3' ' CE2' ' A' ' 59' ' ' TRP . 15.0 mmmt -68.11 -62.32 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.15 -152.63 24.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.484 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -141.51 110.57 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.6 ' HD1' HD21 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -138.77 158.91 43.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.634 ' HB3' HD12 ' A' ' 70' ' ' ILE . 0.5 OUTLIER -122.62 136.18 54.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -87.18 137.47 32.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.55 -40.45 3.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.634 HD12 ' HB3' ' A' ' 67' ' ' ARG . 27.4 mt -76.04 -52.84 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 111.158 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -100.87 158.76 15.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.76 119.01 75.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.541 0.686 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 126.23 13.06 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.615 2.21 . . . . 0.0 112.395 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.547 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 4.9 p30 -124.73 101.99 32.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.631 0.729 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.585 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.8 Cg_exo -47.98 -43.35 30.37 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 64.5 Cg_exo -47.94 -47.42 19.04 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.1 m -59.41 -47.62 84.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.553 ' CZ2' ' HD3' ' A' ' 57' ' ' LYS . 10.0 m0 -64.18 -58.24 7.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.564 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 28.0 tttm -49.08 -46.18 44.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.1 m -65.23 -58.15 6.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 21.2 mmt-85 -40.35 -52.09 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.642 HD13 ' CG ' ' A' ' 59' ' ' TRP . 27.1 tp -72.6 -50.18 27.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 83' ' ' ARG . 15.8 ttt180 -44.88 -43.83 9.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.1 t -63.58 -46.53 85.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.421 ' HB1' HD22 ' A' ' 9' ' ' LEU . . . -58.54 -44.09 89.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.4 tp -53.24 -38.49 63.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -81.58 -45.02 16.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -55.79 -39.42 71.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.2 p -52.01 118.0 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -80.3 -26.69 38.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 113' ' ' VAL . 0.3 OUTLIER -81.29 16.12 1.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -121.93 139.31 53.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -109.87 149.23 30.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -91.14 111.75 23.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.819 HD12 HG12 ' A' ' 109' ' ' VAL . 15.9 mt -101.64 17.98 21.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 95' ' ' LEU . 6.9 p -34.47 -32.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 95' ' ' LEU . 30.8 mt-10 -49.61 -43.55 46.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -86.49 -25.26 25.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 p -51.95 131.41 31.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 7.8 mm-40 -118.66 103.28 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.431 HD11 ' NZ ' ' A' ' 108' ' ' LYS . 7.5 mt -104.22 -11.34 17.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -90.94 13.19 17.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 104' ' ' SER . 46.4 pt -109.52 161.06 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 103' ' ' ILE . 2.8 m -36.41 -56.0 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -111.35 101.97 51.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.508 ' HD2' ' CD ' ' A' ' 40' ' ' LYS . 54.0 Cg_endo -69.75 145.87 58.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -159.36 147.03 17.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.431 ' NZ ' HD11 ' A' ' 101' ' ' LEU . 12.6 mttm -107.46 128.95 54.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.819 HG12 HD12 ' A' ' 95' ' ' LEU . 31.3 t -98.0 141.34 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -142.6 148.05 36.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.63 ' HB2' HD11 ' A' ' 95' ' ' LEU . 6.1 ttt180 -112.43 124.62 52.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.8 mt -71.85 102.25 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 91' ' ' ASP . 3.4 t -77.7 122.74 86.18 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.555 0.693 . . . . 0.0 111.159 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -172.15 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -98.86 163.01 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 24.5 p -75.7 158.85 31.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 145.93 170.01 14.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 95.26 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.613 2.208 . . . . 0.0 112.359 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 81.6 p -79.37 -31.58 42.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.4 t -137.69 130.22 29.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -72.03 166.02 23.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -56.54 -57.74 11.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.19 77.24 0.41 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 t -76.08 -56.65 4.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 110.91 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 t -69.37 128.13 35.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.87 103.72 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.11 110.0 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.9 tp -91.63 -46.11 8.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -39.88 -65.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -64.39 -52.74 56.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.459 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 88.6 t90 -39.99 -63.22 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 16' ' ' GLN . 47.5 tp -53.62 -62.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.788 ' HA ' HD12 ' A' ' 17' ' ' ILE . 72.3 mt -40.74 -40.73 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.75 -38.9 89.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 13' ' ' LEU . 56.7 mm-40 -65.18 -38.59 90.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.788 HD12 ' HA ' ' A' ' 14' ' ' ILE . 11.0 mt -66.96 -49.55 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -52.71 -51.54 59.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 p -56.13 -36.42 68.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.86 28.12 73.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -71.18 -40.74 71.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -89.22 143.18 30.63 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.681 0.753 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 152.75 69.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.634 2.222 . . . . 0.0 112.38 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.5 -42.52 2.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.0 tp -64.48 102.18 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.5 m -149.69 145.6 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.628 ' CD1' ' CD ' ' A' ' 32' ' ' LYS . 97.6 m95 -77.97 117.86 19.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.93 -27.38 65.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.455 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 41.4 p30 -123.25 178.01 5.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -85.71 -33.54 21.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.455 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 10.4 pt-20 -59.43 -14.08 10.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.628 ' CD ' ' CD1' ' A' ' 27' ' ' TRP . 23.0 mmtm 64.47 35.52 9.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.492 ' HB2' HD12 ' A' ' 34' ' ' ILE . 12.2 m -97.91 -39.92 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' ' 33' ' ' SER . 4.3 mp -115.59 141.96 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -146.2 174.53 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.82 136.25 50.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.503 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 5.2 tt -113.98 137.22 22.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.726 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.503 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.9 Cg_endo -69.75 113.49 3.39 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -114.71 102.46 10.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -124.91 123.09 39.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.456 ' CG ' ' H ' ' A' ' 42' ' ' ALA . 18.7 p80 -69.77 -59.64 2.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.456 ' H ' ' CG ' ' A' ' 41' ' ' HIS . . . -169.35 177.86 4.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.49 31.03 0.17 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 29.9 mmtt -152.16 169.88 21.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -145.06 137.75 26.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 55.11 32.02 17.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.566 ' CD1' ' HB3' ' A' ' 44' ' ' LYS . 13.5 p90 -89.26 166.3 13.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -80.81 102.04 9.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 50' ' ' GLU . 44.8 mtt180 -73.5 -46.47 47.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 49' ' ' ARG . 5.8 pt-20 -34.35 -42.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -69.83 -54.79 11.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -53.0 -38.33 62.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.79 17.97 22.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.84 85.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.3 tp -75.23 -44.94 43.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.531 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 68.9 m-85 -58.81 -54.88 42.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.554 ' HD2' ' CH2' ' A' ' 78' ' ' TRP . 24.1 tttm -45.85 -57.87 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' TRP . . . -44.49 -55.19 5.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.544 ' CZ2' ' HD3' ' A' ' 63' ' ' LYS . 29.3 t-105 -37.4 -59.71 0.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.06 -66.35 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.6 mt -41.64 -46.1 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 63' ' ' LYS . 1.8 t80 -57.67 -57.34 13.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.544 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 10.3 mmmm -43.14 -66.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -121.09 -129.3 3.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -136.72 106.03 6.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.582 ' CZ ' ' O ' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -118.97 158.76 25.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.582 ' O ' ' CZ ' ' A' ' 66' ' ' PHE . 0.5 OUTLIER -117.21 131.88 56.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.65 -29.13 14.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -91.82 -40.69 5.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.551 HD12 ' HG2' ' A' ' 67' ' ' ARG . 77.1 mt -82.4 -56.75 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -83.49 152.57 24.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -77.92 118.81 74.51 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.538 0.685 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 154.19 67.73 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.251 . . . . 0.0 112.314 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.545 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 2.7 p30 -150.49 102.06 3.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.624 0.726 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.594 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.5 Cg_exo -48.04 -43.26 30.93 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.325 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.1 Cg_exo -47.98 -54.64 4.94 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.727 2.285 . . . . 0.0 112.346 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.5 m -57.0 -45.39 83.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.208 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.554 ' CH2' ' HD2' ' A' ' 57' ' ' LYS . 36.3 m0 -60.88 -57.1 14.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.531 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 12.6 ttmm -56.02 -55.71 29.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.0 m -52.71 -55.21 24.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.5 mmt-85 -43.11 -60.93 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.483 HD23 ' CE1' ' A' ' 56' ' ' PHE . 34.7 tp -62.61 -60.0 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -38.93 -44.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.1 t -65.6 -55.42 17.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.22 -43.47 64.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.0 tp -53.79 -42.37 68.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -74.15 -52.01 13.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -51.88 -46.82 64.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 m -53.48 102.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -68.17 -38.9 82.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.52 -18.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -101.54 140.14 36.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.485 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 0.6 OUTLIER -112.99 147.71 36.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.527 ' HG3' ' CZ ' ' A' ' 110' ' ' TYR . 4.0 tt0 -88.97 127.4 35.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.95 HD12 HG12 ' A' ' 109' ' ' VAL . 64.5 mt -105.75 22.89 14.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.462 ' C ' ' O ' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -31.99 -35.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 179.849 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 95' ' ' LEU . 11.9 mt-10 -47.07 -45.45 21.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -90.29 -19.43 24.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.443 ' HB2' ' HA ' ' A' ' 96' ' ' VAL . 14.2 m -52.08 137.79 26.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.645 ' HB3' HD12 ' A' ' 103' ' ' ILE . 32.7 mm-40 -128.39 104.93 7.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.3 mt -114.55 14.56 17.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -117.98 9.56 12.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.853 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.76 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -106.5 172.15 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ILE . 28.0 m -37.1 -57.81 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.477 ' O ' HD11 ' A' ' 103' ' ' ILE . 24.8 t70 -114.73 104.94 53.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.9 Cg_endo -69.69 140.64 43.43 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.692 2.262 . . . . 0.0 112.352 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -157.81 147.94 20.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.47 ' O ' HG22 ' A' ' 37' ' ' ILE . 40.5 mttt -107.09 127.06 53.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.95 HG12 HD12 ' A' ' 95' ' ' LEU . 60.6 t -91.69 149.33 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.527 ' CZ ' ' HG3' ' A' ' 94' ' ' GLU . 14.7 m-85 -144.96 152.81 40.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.961 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.569 ' HB2' HD11 ' A' ' 95' ' ' LEU . 12.5 ttt180 -119.28 129.41 54.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.6 mt -80.67 102.06 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.485 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 2.3 t -73.46 123.88 89.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.636 0.731 . . . . 0.0 111.118 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -175.93 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 116' ' ' SER . 12.4 pt-20 -96.87 -43.58 7.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.464 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 7.5 t 54.13 42.46 31.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -130.88 -171.95 13.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.538 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 145.0 56.0 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.731 2.287 . . . . 0.0 112.326 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.4 m -86.09 140.3 30.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 27.7 t -44.21 -48.39 9.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.457 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.542 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 6.9 tp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.787 0.327 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 9' ' ' LEU . 1.7 tmt_? -35.42 -61.84 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' TRP . 32.3 tp60 -75.6 -56.6 4.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 72.6 t90 -36.81 -61.05 0.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.413 ' N ' ' CE3' ' A' ' 12' ' ' TRP . 33.2 tp -53.09 -56.3 17.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.66 ' HA ' HD12 ' A' ' 17' ' ' ILE . 72.3 mt -46.84 -40.91 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -61.68 -37.27 83.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -65.99 -40.79 91.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 14' ' ' ILE . 7.1 mt -68.99 -50.64 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.518 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 5.2 t0 -56.09 -42.81 77.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.2 p -64.17 -32.74 74.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.799 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.18 28.77 73.94 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.436 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -71.57 -41.87 68.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.534 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 3.5 m-85 -91.47 142.63 27.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.665 0.745 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 154.95 67.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.16 -48.3 3.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.443 HD21 HG13 ' A' ' 17' ' ' ILE . 17.4 tp -63.37 102.05 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.369 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.2 m -141.87 148.45 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.613 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 99.3 m95 -79.4 111.13 15.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -52.18 -29.91 24.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.451 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 39.2 p30 -123.28 177.83 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.47 -30.44 23.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 13.6 pt-20 -60.84 -13.65 16.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.613 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 20.3 mmtm 64.72 33.5 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 m -98.5 -40.43 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -112.57 139.06 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -144.95 174.55 10.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -127.04 137.1 53.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.66 HG22 ' O ' ' A' ' 108' ' ' LYS . 10.2 tt -114.38 130.72 23.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.67 0.748 . . . . 0.0 111.104 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 115.53 4.14 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.841 0.353 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.46 -44.3 68.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.069 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.534 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 22.6 tp -87.36 -45.86 10.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -53.43 -50.45 65.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.786 ' HG3' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -48.39 -51.93 24.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.92 -49.64 70.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.567 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 15.6 t-105 -43.48 -58.83 2.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.34 -67.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.786 HD12 ' HG3' ' A' ' 57' ' ' LYS . 9.4 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.587 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.2 Cg_exo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 121.549 0.562 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.2 Cg_exo -47.97 -49.57 13.6 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.642 2.228 . . . . 0.0 112.3 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 95.4 m -59.04 -46.59 87.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 23.1 m0 -64.38 -58.64 5.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -52.89 -54.37 35.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 84' ' ' CYS . 35.8 m -57.24 -48.34 79.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -56.47 14.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.495 HD13 ' CG ' ' A' ' 59' ' ' TRP . 25.7 tp -66.59 -62.27 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -39.19 -41.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 80' ' ' THR . 3.8 t -69.3 -48.86 60.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.46 -44.57 84.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.7 tp -48.36 -46.64 37.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.38 -44.85 23.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -50.69 -43.69 57.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.9 t -52.58 107.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -68.94 -23.07 64.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.2 p-10 -80.16 12.84 2.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -119.1 138.84 52.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 3.8 tp10 -110.2 150.01 29.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -91.95 110.16 21.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.9 HD12 HG12 ' A' ' 109' ' ' VAL . 34.6 mt -96.27 18.03 14.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.6 p -36.68 -28.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 95' ' ' LEU . 39.2 mt-10 -51.8 -43.92 63.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -91.38 -22.02 20.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.6 p -52.07 140.04 21.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.52 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 9.6 mm-40 -127.21 103.89 7.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.1 mt -111.27 12.34 21.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -117.69 16.75 14.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.687 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -114.57 172.2 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 t -38.87 -59.41 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.562 ' O ' HD11 ' A' ' 103' ' ' ILE . 8.1 t70 -110.56 102.1 50.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.601 0.715 . . . . 0.0 110.913 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 105' ' ' ASP . 53.8 Cg_endo -69.78 149.66 67.07 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.694 2.262 . . . . 0.0 112.329 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -167.7 151.98 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.66 ' O ' HG22 ' A' ' 37' ' ' ILE . 41.0 mttm -111.64 122.77 48.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.9 HG12 HD12 ' A' ' 95' ' ' LEU . 36.3 t -88.98 142.23 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.165 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -142.04 154.69 45.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.964 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.666 ' HB2' HD11 ' A' ' 95' ' ' LEU . 32.3 ttt180 -121.42 124.42 44.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 69.5 mt -74.07 102.21 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 91' ' ' ASP . 3.0 t -78.09 122.47 85.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.711 . . . . 0.0 111.151 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -172.07 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.682 2.254 . . . . 0.0 112.335 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.855 0.359 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ttm105 -41.22 -67.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.468 ' C ' ' CD ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -59.6 -54.1 50.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -39.09 -50.92 1.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.713 ' HG ' HD11 ' A' ' 17' ' ' ILE . 48.3 tp -65.76 -47.37 75.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.515 ' HA ' HD12 ' A' ' 17' ' ' ILE . 88.7 mt -53.64 -39.75 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.02 -41.11 97.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -68.03 -40.07 82.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.713 HD11 ' HG ' ' A' ' 13' ' ' LEU . 11.5 mt -68.71 -44.21 82.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -57.83 -45.6 85.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 p -62.12 -34.95 77.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.84 25.08 71.74 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -68.8 -44.62 73.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -83.23 137.48 42.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.662 0.744 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 146.41 60.71 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.22 -38.73 3.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.1 tp -75.42 101.97 4.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.883 0.373 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.4 m -145.69 151.87 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.59 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 98.3 m95 -78.13 121.34 24.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -67.23 -28.11 67.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.443 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 34.3 p30 -121.61 171.45 8.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -78.57 -33.3 47.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.443 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 13.9 pt-20 -57.36 -12.78 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.59 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 23.3 mmtm 62.29 33.98 16.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.1 t -104.27 -38.03 7.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.6 mt -108.73 140.04 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.406 ' CD1' ' CZ3' ' A' ' 27' ' ' TRP . 9.8 p90 -150.02 174.61 12.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -127.37 134.53 49.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 108' ' ' LYS . 7.0 tt -114.05 135.28 22.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 111.189 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.431 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 54.1 Cg_endo -69.77 116.0 4.35 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.551 ' CE3' ' HD2' ' A' ' 108' ' ' LYS . 2.7 t-105 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.429 ' O ' ' CB ' ' A' ' 57' ' ' LYS . . . . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.764 0.316 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.38 -57.25 13.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.9 tp -74.5 -53.67 9.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -48.03 -48.83 32.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.43 ' HD2' ' CZ3' ' A' ' 78' ' ' TRP . 11.4 tptp -46.76 -57.93 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -39.04 -58.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -51.88 -51.62 55.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 57' ' ' LYS . . . -38.85 -32.3 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.085 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.1 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.591 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.5 Cg_exo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 121.608 0.587 . . . . 0.0 112.335 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 64.5 Cg_exo -48.03 -43.32 30.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.357 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.6 m -68.63 -45.26 72.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.086 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.562 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 4.8 m0 -63.52 -58.49 6.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -41.57 -42.61 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 81' ' ' ARG . 90.7 m -76.37 -52.84 9.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.49 ' CZ ' ' HA ' ' A' ' 81' ' ' ARG . 2.2 mmp_? -34.06 -37.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 85' ' ' ALA . 14.7 tp -79.77 -65.27 1.02 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 82' ' ' LEU . 1.6 ptp180 -34.2 -37.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 82' ' ' LEU . 2.8 t -71.89 -49.94 33.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 82' ' ' LEU . . . -56.89 -51.09 70.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.103 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 tp -41.6 -62.46 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -58.13 -42.42 85.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -55.15 -40.09 70.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.2 t -52.05 122.58 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -83.67 -26.64 29.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 113' ' ' VAL . 5.0 m-20 -81.95 16.7 1.78 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -121.52 142.54 49.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.459 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 11.9 tt0 -110.22 147.18 34.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -87.83 108.39 19.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.843 HD12 HG12 ' A' ' 109' ' ' VAL . 22.5 mt -96.16 18.02 14.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 95' ' ' LEU . 12.2 p -37.85 -25.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 95' ' ' LEU . 39.0 mt-10 -54.1 -43.69 70.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -92.17 -22.01 20.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.409 ' HB2' ' HA ' ' A' ' 108' ' ' LYS . 29.5 p -52.0 134.49 32.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.924 ' HB3' HD12 ' A' ' 103' ' ' ILE . 14.4 mm-40 -124.31 103.56 8.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.473 HD21 ' HG3' ' A' ' 108' ' ' LYS . 6.0 mt -115.54 13.39 16.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.71 16.84 14.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.924 HD12 ' HB3' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -115.7 -179.58 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.1 t -41.03 -59.33 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.433 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 74.6 m-20 -114.17 105.55 54.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.7 Cg_endo -69.74 151.63 69.22 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.55 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 49.1 p90 -168.0 156.72 9.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.551 ' HD2' ' CE3' ' A' ' 39' ' ' TRP . 41.6 mttm -117.45 125.17 50.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.843 HG12 HD12 ' A' ' 95' ' ' LEU . 26.5 t -94.05 143.56 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -143.48 158.08 43.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.661 ' HB2' HD11 ' A' ' 95' ' ' LEU . 9.2 ttt180 -124.21 126.29 45.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.454 HD13 HD11 ' A' ' 14' ' ' ILE . 75.8 mt -73.28 102.04 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 91' ' ' ASP . 6.2 t -78.85 125.59 83.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.72 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 179.0 4.05 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.721 HD22 ' HB1' ' A' ' 85' ' ' ALA . 6.0 tp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.795 0.331 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 9' ' ' LEU . 2.1 tmt_? -35.17 -66.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' TRP . 4.1 tp60 -72.72 -53.15 12.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 90.9 t90 -36.67 -61.32 0.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.9 tp -53.12 -58.12 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.51 ' HA ' HD12 ' A' ' 17' ' ' ILE . 72.5 mt -45.43 -42.02 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -62.3 -36.43 82.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -68.25 -41.13 81.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.542 HG22 ' CD1' ' A' ' 27' ' ' TRP . 16.5 mt -65.99 -44.72 92.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -58.31 -45.43 88.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.9 p -63.82 -34.23 77.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.6 29.0 73.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.442 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -72.14 -40.1 68.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.709 0.29 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 2.9 m-85 -90.11 144.18 30.87 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.659 0.742 . . . . 0.0 110.945 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 151.99 69.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.57 -41.17 2.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.531 HD11 HG12 ' A' ' 17' ' ' ILE . 15.5 tp -65.95 105.73 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.9 m -155.14 147.29 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.59 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 95.8 m95 -77.91 119.54 21.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.439 ' HG3' HG22 ' A' ' 34' ' ' ILE . 17.9 mt-10 -61.32 -30.18 70.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.532 ' ND2' HD12 ' A' ' 34' ' ' ILE . 31.3 p30 -121.33 176.46 5.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' N ' ' CD ' ' A' ' 30' ' ' GLU . 20.5 mp0 -83.34 -32.11 26.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.6 pt-20 -57.91 -11.99 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.59 ' HD3' ' CD1' ' A' ' 27' ' ' TRP . 23.4 mmtm 63.62 34.79 12.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.1 t -106.04 -37.03 6.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.532 HD12 ' ND2' ' A' ' 29' ' ' ASN . 28.4 mt -107.52 137.42 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.482 ' O ' HG13 ' A' ' 109' ' ' VAL . 16.4 p90 -148.83 174.42 12.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -132.07 133.95 44.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.4 tt -114.19 134.17 22.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 106.39 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.563 ' CZ2' ' HE3' ' A' ' 79' ' ' LYS . 7.3 t-105 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.738 0.304 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.69 -52.36 60.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.566 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 7.4 tp -54.15 -46.51 72.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -57.77 -60.74 3.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.589 ' HG3' ' CE3' ' A' ' 78' ' ' TRP . 21.4 mtpp -47.3 -47.65 25.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.17 -44.22 32.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.536 ' CZ2' ' HB2' ' A' ' 9' ' ' LEU . 31.7 t-105 -67.99 -53.58 24.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.46 -49.32 61.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.08 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.599 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 66.9 Cg_exo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 121.537 0.557 . . . . 0.0 112.32 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.0 Cg_exo -48.0 -44.78 26.94 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.727 2.284 . . . . 0.0 112.32 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.8 m -60.99 -48.26 82.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.589 ' CE3' ' HG3' ' A' ' 57' ' ' LYS . 6.2 m0 -66.28 -58.49 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.563 ' HE3' ' CZ2' ' A' ' 39' ' ' TRP . 4.3 tmtm? -38.67 -50.49 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 81' ' ' ARG . 91.3 m -68.49 -55.31 12.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 81' ' ' ARG . 2.5 mmp_? -35.82 -56.11 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' ARG . 67.0 tp -67.69 -56.72 8.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' LEU . 50.5 ttt180 -35.28 -47.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.3 t -55.53 -57.78 10.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.721 ' HB1' HD22 ' A' ' 9' ' ' LEU . . . -47.62 -48.34 28.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.8 tp -47.77 -63.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -58.44 -43.58 88.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -53.12 -40.92 64.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.7 t -52.32 124.05 12.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -90.6 -29.25 17.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.1 m-20 -80.32 14.12 2.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -114.89 145.2 42.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -109.82 150.92 27.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -92.48 109.1 20.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.935 HD12 HG12 ' A' ' 109' ' ' VAL . 20.8 mt -96.14 18.09 14.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 95' ' ' LEU . 11.5 p -35.42 -30.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 95' ' ' LEU . 2.1 mp0 -53.24 -43.84 67.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -86.78 -22.84 25.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.406 ' HB2' ' HA ' ' A' ' 96' ' ' VAL . 3.4 m -52.12 133.84 33.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.431 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 29.1 mm-40 -124.59 104.83 8.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.452 HD23 ' HB2' ' A' ' 106' ' ' PRO . 8.4 mt -106.39 -16.17 14.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.12 12.9 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 104' ' ' SER . 33.7 pt -108.47 160.54 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 103' ' ' ILE . 5.5 t -36.28 -55.13 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -112.73 102.02 53.84 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.673 0.749 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.452 ' HB2' HD23 ' A' ' 101' ' ' LEU . 53.9 Cg_endo -69.77 146.01 58.84 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -158.66 148.19 19.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.424 ' HE3' ' CE2' ' A' ' 39' ' ' TRP . 49.7 mttt -107.41 129.97 54.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.935 HG12 HD12 ' A' ' 95' ' ' LEU . 19.3 t -101.04 143.09 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -143.77 152.34 41.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.496 ' HB2' HD11 ' A' ' 95' ' ' LEU . 8.9 ttt180 -118.17 127.44 53.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 77.4 mt -74.24 102.08 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 91' ' ' ASP . 4.3 t -76.98 122.64 86.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.651 0.739 . . . . 0.0 111.104 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -174.27 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.321 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.85 0.357 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -43.54 -64.67 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -67.75 -53.88 23.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -37.66 -61.17 0.64 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.587 ' HG ' HD11 ' A' ' 17' ' ' ILE . 27.8 tp -53.06 -58.82 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.539 ' HA ' HD12 ' A' ' 17' ' ' ILE . 72.0 mt -42.69 -40.91 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -65.38 -38.72 90.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -68.51 -40.95 80.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.587 HD11 ' HG ' ' A' ' 13' ' ' LEU . 11.8 mt -65.9 -50.41 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -51.55 -45.43 63.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.0 p -63.03 -36.13 82.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.43 25.06 71.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm -70.66 -39.35 73.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.518 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 4.5 m-85 -86.39 138.46 34.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.676 0.751 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 146.77 61.22 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.32 -37.65 3.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.5 tp -76.21 107.49 8.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 0.0 110.937 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.3 m -153.73 151.94 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.637 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 90.9 m95 -77.45 125.2 28.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -65.81 -26.53 67.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.441 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 28.8 p30 -125.03 174.5 7.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -83.47 -25.81 30.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.441 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.6 pt-20 -63.08 -11.59 20.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.637 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 2.9 mmmm 62.45 35.57 14.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -105.45 -38.08 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 mt -111.42 143.63 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -149.31 169.6 20.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.05 132.79 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 108' ' ' LYS . 6.9 tt -114.82 134.42 22.44 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.576 0.703 . . . . 0.0 111.11 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.417 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.4 Cg_endo -69.76 112.79 3.17 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.542 ' CD2' ' HD2' ' A' ' 108' ' ' LYS . 3.8 t-105 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.79 0.329 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -37.08 -46.68 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.518 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 14.1 tp -64.5 -67.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.899 ' CD1' HD23 ' A' ' 82' ' ' LEU . 61.7 m-85 -47.62 -59.14 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.491 ' HG3' ' CZ2' ' A' ' 78' ' ' TRP . 78.0 tttt -44.79 -50.17 10.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.03 -40.56 45.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -59.04 -41.23 87.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.22 -54.03 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.588 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.8 Cg_exo . . . . . 0 N--CA 1.465 -0.181 0 CA-C-O 121.653 0.605 . . . . 0.0 112.377 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 64.9 Cg_exo -47.93 -22.26 3.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 35.2 m -87.35 -47.03 9.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.537 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 5.7 m0 -64.24 -53.27 51.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.554 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 32.8 mtpt -48.97 -46.36 43.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.1 m -67.62 -51.8 45.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.423 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 19.0 mmt180 -56.69 -20.38 21.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.899 HD23 ' CD1' ' A' ' 56' ' ' PHE . 21.6 tp -95.24 -40.3 9.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.8 ttm105 -69.66 -33.78 73.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 81' ' ' ARG . 12.1 p -58.28 -50.01 75.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.3 -48.54 41.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.6 tp -43.17 -36.14 1.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -83.14 -46.47 12.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -56.8 -30.77 64.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 t -52.02 117.12 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -87.16 -24.34 24.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 113' ' ' VAL . 30.8 m-20 -79.88 12.34 2.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -118.26 143.97 46.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.444 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 4.0 tp10 -110.04 151.15 27.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -92.75 109.96 21.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.899 HD12 HG12 ' A' ' 109' ' ' VAL . 40.9 mt -97.46 17.97 16.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.4 p -34.96 -30.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 95' ' ' LEU . 43.6 mt-10 -49.38 -43.96 44.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -88.79 -25.81 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.411 ' HB2' ' HA ' ' A' ' 108' ' ' LYS . 18.8 p -52.01 130.65 30.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.45 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 17.2 mm-40 -119.07 102.55 8.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.7 mt -102.94 -16.93 15.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -83.83 18.0 2.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.3 pt -114.03 163.57 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.5 m -38.55 -49.9 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.407 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 0.8 OUTLIER -117.84 101.98 51.62 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.611 0.719 . . . . 0.0 110.873 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.48 ' HG2' ' O ' ' A' ' 39' ' ' TRP . 53.7 Cg_endo -69.76 147.58 63.19 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.45 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 47.3 p90 -158.02 144.28 17.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.636 ' O ' HG22 ' A' ' 37' ' ' ILE . 12.4 mttm -106.99 123.7 48.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.917 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.899 HG12 HD12 ' A' ' 95' ' ' LEU . 42.8 t -94.39 138.8 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -138.08 152.88 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.66 ' HB2' HD11 ' A' ' 95' ' ' LEU . 5.1 ttt180 -118.34 127.4 53.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.5 mt -72.63 101.99 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 91' ' ' ASP . 5.9 t -79.48 122.56 84.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 0.0 111.2 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -176.41 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.444 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 4.8 tp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.823 0.344 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' LEU . 30.5 ttt-85 -37.48 -65.39 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' TRP . 22.7 tp60 -69.01 -56.14 8.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.577 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 90.3 t90 -36.61 -61.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.58 ' HG ' HD11 ' A' ' 17' ' ' ILE . 24.7 tp -53.59 -61.17 2.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.758 ' HA ' HD12 ' A' ' 17' ' ' ILE . 58.0 mt -42.77 -41.33 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.16 -40.32 97.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -67.93 -40.41 83.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 14' ' ' ILE . 9.0 mt -64.87 -50.38 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -52.34 -51.04 61.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.6 p -56.47 -43.87 80.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.56 27.93 64.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -71.34 -40.49 70.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -90.57 143.14 28.69 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.675 0.75 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 152.44 69.62 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.99 -40.56 2.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.1 tp -69.96 102.03 1.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.9 m -149.67 148.27 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.629 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 98.7 m95 -77.34 121.54 23.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -64.71 -22.76 67.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.446 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 31.8 p30 -130.4 177.44 7.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -85.5 -23.56 27.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 13.3 pt-20 -68.0 -8.28 36.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.629 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 22.5 mmtm 59.81 32.12 21.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 t -101.15 -39.23 7.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.0 mt -109.57 137.28 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -147.04 173.73 12.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -130.94 132.93 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.453 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 9.4 tt -114.54 135.72 22.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.638 0.732 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.453 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.5 Cg_endo -69.82 110.98 2.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.308 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.776 0.322 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.81 94.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.86 -52.49 63.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -63.39 -43.74 96.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.558 ' HD2' ' CH2' ' A' ' 78' ' ' TRP . 15.1 tptt -50.45 -48.32 56.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.4 89.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.577 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 26.4 t-105 -49.52 -59.35 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.82 -66.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.08 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.598 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.9 Cg_exo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 121.592 0.58 . . . . 0.0 112.318 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 63.3 Cg_exo -47.96 -51.57 9.69 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.366 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.7 m -54.04 -47.12 71.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.576 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 9.7 m0 -65.63 -48.37 72.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.99 -54.85 39.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.528 ' HA ' ' CD ' ' A' ' 83' ' ' ARG . 56.9 m -62.62 -42.7 99.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -58.14 -51.91 67.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.47 HD13 ' CG ' ' A' ' 59' ' ' TRP . 25.5 tp -67.07 -67.23 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.528 ' CD ' ' HA ' ' A' ' 80' ' ' THR . 17.6 ptt180 -32.79 -46.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.495 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 3.2 t -60.93 -61.07 2.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -42.23 -55.54 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.2 tp -42.71 -56.59 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -62.87 -41.95 99.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -40.0 67.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -52.24 115.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -77.3 -29.97 53.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 113' ' ' VAL . 7.4 m-20 -78.67 11.02 2.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -115.49 142.06 47.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.482 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 3.3 tp10 -110.06 150.11 29.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -92.38 110.42 21.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.994 HD12 HG12 ' A' ' 109' ' ' VAL . 58.8 mt -96.11 18.03 14.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 95' ' ' LEU . 6.4 p -35.36 -31.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.134 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 95' ' ' LEU . 73.2 mt-10 -52.26 -43.39 64.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -85.81 -26.2 25.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.404 ' HB2' ' HA ' ' A' ' 108' ' ' LYS . 4.8 p -51.99 131.96 31.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.496 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 14.6 mm-40 -117.92 102.11 8.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.486 HD23 ' HB2' ' A' ' 106' ' ' PRO . 7.7 mt -102.91 -17.93 15.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.06 17.92 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 27.4 pt -112.96 166.3 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.3 m -42.86 -46.94 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -120.05 102.0 46.82 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.631 0.729 . . . . 0.0 110.836 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.486 ' HB2' HD23 ' A' ' 101' ' ' LEU . 53.8 Cg_endo -69.71 146.07 59.35 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.496 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 48.9 p90 -156.26 147.95 22.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.404 ' HA ' ' HB2' ' A' ' 99' ' ' SER . 11.6 mttm -107.19 125.76 51.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.994 HG12 HD12 ' A' ' 95' ' ' LEU . 48.2 t -96.58 141.07 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -140.54 152.22 45.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.633 ' HB2' HD11 ' A' ' 95' ' ' LEU . 7.0 ttt180 -119.29 124.99 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 71.8 mt -71.56 102.0 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 91' ' ' ASP . 7.2 t -79.04 122.54 84.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 111.118 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -174.7 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.407 HD22 ' HB1' ' A' ' 85' ' ' ALA . 16.8 tp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.817 0.341 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -45.05 -68.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' TRP . 22.1 tp60 -60.86 -58.99 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' GLN . 81.3 t90 -36.7 -58.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.2 tp -57.36 -59.6 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.777 ' HA ' HD12 ' A' ' 17' ' ' ILE . 46.0 mt -42.88 -41.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.14 -37.56 85.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -68.25 -38.15 81.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 14' ' ' ILE . 7.5 mt -69.15 -49.98 57.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -51.95 -47.57 64.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 p -63.32 -34.97 78.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.69 28.74 73.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -72.49 -38.06 68.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.534 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 5.5 m-85 -88.82 141.17 29.63 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.662 0.744 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 145.53 57.39 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.82 -42.34 3.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.474 HD11 HG12 ' A' ' 17' ' ' ILE . 15.5 tp -66.89 102.34 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.6 m -145.27 146.37 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.592 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 99.3 m95 -78.33 111.96 14.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -58.23 -28.59 65.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.64 ' ND2' HD12 ' A' ' 34' ' ' ILE . 34.4 p30 -122.76 163.02 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -72.09 -32.7 67.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 12.6 pt-20 -56.47 -13.3 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.592 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 21.3 mmtm 62.71 32.69 16.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.6 p -105.21 -34.12 8.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.64 HD12 ' ND2' ' A' ' 29' ' ' ASN . 20.4 mt -111.47 133.87 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -143.7 170.98 14.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -122.97 135.65 54.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.531 HG22 ' O ' ' A' ' 108' ' ' LYS . 4.6 tt -114.36 132.08 22.97 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.637 0.732 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 108.63 2.12 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.643 2.229 . . . . 0.0 112.393 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.461 ' CE2' ' HE3' ' A' ' 108' ' ' LYS . 3.4 t-105 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.742 0.306 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -32.39 -40.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.534 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 25.8 tp -78.1 -57.76 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.729 ' CD1' HD23 ' A' ' 82' ' ' LEU . 87.8 m-85 -53.93 -56.71 15.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.525 ' HG3' ' CE2' ' A' ' 78' ' ' TRP . 46.1 tttm -45.08 -59.29 2.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -40.75 -41.11 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.065 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.409 ' HB3' ' O ' ' A' ' 56' ' ' PHE . 29.9 t-105 -52.16 -48.75 64.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.49 -59.71 4.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.479 HD11 ' NZ ' ' A' ' 57' ' ' LYS . 7.5 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.591 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.6 Cg_exo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 121.571 0.571 . . . . 0.0 112.331 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.9 Cg_exo -47.98 -60.47 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.258 . . . . 0.0 112.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.3 m -50.54 -44.46 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.525 ' CE2' ' HG3' ' A' ' 57' ' ' LYS . 28.4 m0 -63.28 -41.54 99.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.57 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 32.7 mtpt -73.65 -67.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 81' ' ' ARG . 36.7 m -39.04 -68.36 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 80' ' ' THR . 5.1 mpt_? -36.2 -68.34 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.729 HD23 ' CD1' ' A' ' 56' ' ' PHE . 59.8 tp -49.59 -41.5 42.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.45 ' HG2' ' CH2' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -58.44 -41.32 84.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.61 -42.19 74.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.407 ' HB1' HD22 ' A' ' 9' ' ' LEU . . . -56.97 -50.19 73.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.9 tp -40.7 -56.58 2.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -61.48 -43.79 98.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 35.8 mttm -50.51 -41.05 53.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.0 m -52.15 116.02 2.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -86.69 -27.39 23.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 113' ' ' VAL . 0.8 OUTLIER -81.75 15.48 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -113.48 145.0 41.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.43 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 7.3 tp10 -110.2 151.05 27.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.473 ' HG2' HG12 ' A' ' 96' ' ' VAL . 8.0 tt0 -93.08 109.78 21.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.843 HD12 HG12 ' A' ' 109' ' ' VAL . 12.6 mt -97.65 18.03 16.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.473 HG12 ' HG2' ' A' ' 94' ' ' GLU . 12.5 p -37.88 -26.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 95' ' ' LEU . 30.8 mt-10 -57.36 -42.6 82.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -90.61 -23.81 20.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.472 ' HA ' HG23 ' A' ' 109' ' ' VAL . 10.5 p -52.0 139.52 22.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.587 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 13.1 mm-40 -125.2 102.87 7.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.4 mt -114.03 14.59 18.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -117.92 17.91 14.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.682 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -117.32 177.56 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.1 m -42.4 -60.31 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.564 ' O ' HD11 ' A' ' 103' ' ' ILE . 6.5 t0 -110.61 102.09 50.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.635 0.731 . . . . 0.0 110.835 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.5 Cg_endo -69.75 151.54 69.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 31.8 p90 -164.73 152.23 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.531 ' O ' HG22 ' A' ' 37' ' ' ILE . 41.6 mttt -110.36 123.0 49.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.843 HG12 HD12 ' A' ' 95' ' ' LEU . 45.7 t -91.65 140.9 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -144.16 154.04 42.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.608 ' HB2' HD11 ' A' ' 95' ' ' LEU . 12.4 ttt180 -120.73 127.01 51.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.2 mt -74.5 103.02 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 91' ' ' ASP . 5.4 t -78.43 123.49 85.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.642 0.734 . . . . 0.0 111.063 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -174.45 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.31 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.404 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 6.3 tp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.793 0.33 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -47.03 -64.41 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' TRP . 1.5 tp60 -64.42 -58.67 5.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 85.1 t90 -38.01 -56.16 1.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.539 ' HG ' HD11 ' A' ' 17' ' ' ILE . 45.9 tp -59.4 -54.46 46.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.484 ' HA ' HD12 ' A' ' 17' ' ' ILE . 65.3 mt -47.98 -39.04 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -65.7 -39.48 91.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -65.79 -40.81 92.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.706 HG22 ' CD1' ' A' ' 27' ' ' TRP . 9.1 mt -69.4 -48.7 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.551 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 8.2 t70 -50.5 -47.34 57.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 p -64.99 -33.55 76.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.5 29.0 73.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -70.41 -38.6 74.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.547 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 2.6 m-85 -87.73 140.94 31.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.663 0.744 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 148.05 63.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.703 2.269 . . . . 0.0 112.311 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.44 -45.43 3.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.463 HD21 HG13 ' A' ' 17' ' ' ILE . 18.3 tp -67.77 101.99 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.934 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.4 m -141.49 146.29 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.706 ' CD1' HG22 ' A' ' 17' ' ' ILE . 99.4 m95 -77.15 116.34 17.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -58.73 -23.06 59.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.415 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 29.8 p30 -131.32 177.68 7.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -85.8 -25.79 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.415 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 10.0 pt-20 -66.34 -6.52 14.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.624 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 22.5 mmtm 58.6 32.1 21.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.6 t -99.79 -40.09 7.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.6 mt -109.35 137.18 42.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -147.03 174.76 11.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -128.66 136.51 50.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.566 HG22 ' O ' ' A' ' 108' ' ' LYS . 12.0 tt -114.11 130.88 23.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.647 0.737 . . . . 0.0 111.165 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.435 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.2 Cg_endo -69.77 113.25 3.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.306 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.593 ' CE3' ' HD2' ' A' ' 108' ' ' LYS . 6.7 t-105 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.789 0.328 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.78 -42.69 17.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.547 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 10.5 tp -67.92 -59.5 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -50.69 -57.67 7.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -40.83 -55.59 2.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.69 -44.28 47.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.533 ' CD1' HD13 ' A' ' 82' ' ' LEU . 31.4 t-105 -52.42 -57.15 10.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.72 -64.71 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.4 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.589 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.5 Cg_exo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.588 0.578 . . . . 0.0 112.319 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.7 Cg_exo -48.01 -48.81 15.34 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.0 m -63.14 -44.52 95.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.407 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 36.1 m0 -60.75 -48.78 80.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -72.03 -65.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.6 m -36.34 -65.31 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.464 ' N ' ' HD2' ' A' ' 81' ' ' ARG . 0.4 OUTLIER -42.42 -67.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.533 HD13 ' CD1' ' A' ' 59' ' ' TRP . 27.7 tp -46.99 -59.8 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -39.22 -50.09 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.84 -46.73 87.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.91 -50.67 71.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.8 tp -44.22 -49.9 9.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -69.68 -42.93 73.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -53.52 -40.08 65.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.1 t -52.1 105.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -72.19 -27.42 62.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.1 m-20 -80.3 13.34 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -114.09 143.72 44.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.447 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 1.2 tp10 -109.93 147.16 33.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -89.22 110.4 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.785 HD12 HG12 ' A' ' 109' ' ' VAL . 10.2 mt -98.88 17.96 18.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.442 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 14.8 p -35.08 -28.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 95' ' ' LEU . 35.8 mt-10 -52.04 -41.05 61.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 4.3 mtp85 -89.79 -24.75 21.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.446 ' HB2' ' HA ' ' A' ' 108' ' ' LYS . 8.0 p -52.01 124.36 12.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 13.1 mm-40 -116.76 101.98 9.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.457 HD23 ' HB2' ' A' ' 106' ' ' PRO . 6.8 mt -100.8 -17.11 17.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.33 18.02 1.92 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 21.4 pt -113.84 164.04 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.4 m -41.8 -47.22 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -118.83 102.07 49.78 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.621 0.724 . . . . 0.0 110.816 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.457 ' HB2' HD23 ' A' ' 101' ' ' LEU . 53.1 Cg_endo -69.86 142.93 48.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.295 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.425 ' HA ' ' O ' ' A' ' 37' ' ' ILE . 38.6 p90 -154.72 146.24 23.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.593 ' HD2' ' CE3' ' A' ' 39' ' ' TRP . 11.9 mttm -108.07 126.75 53.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.785 HG12 HD12 ' A' ' 95' ' ' LEU . 96.1 t -94.92 143.01 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -144.72 152.35 40.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.589 ' HB2' HD11 ' A' ' 95' ' ' LEU . 8.5 ttt180 -119.63 126.59 51.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.4 HD13 HD11 ' A' ' 14' ' ' ILE . 73.1 mt -71.72 102.0 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 91' ' ' ASP . 4.7 t -77.39 124.9 86.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 111.142 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -174.5 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 4.5 tp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.793 0.33 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -44.39 -67.23 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' TRP . 5.2 tp60 -61.51 -60.37 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.531 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 85.5 t90 -36.62 -58.19 0.74 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.6 tp -56.71 -57.29 13.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.738 ' HA ' HD12 ' A' ' 17' ' ' ILE . 38.7 mt -46.64 -42.11 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.56 -37.51 81.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.423 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 46.2 mm-40 -66.73 -39.91 88.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.738 HD12 ' HA ' ' A' ' 14' ' ' ILE . 8.2 mt -68.02 -47.22 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -55.33 -45.32 76.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.2 p -66.09 -34.52 78.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.815 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.12 29.4 74.84 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.543 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -73.39 -38.67 65.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 16' ' ' GLN . 1.6 m-85 -89.88 141.83 28.51 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.645 0.736 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 149.29 66.92 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.11 -36.76 2.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.471 HD11 HG12 ' A' ' 17' ' ' ILE . 17.0 tp -73.4 103.29 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.4 m -153.0 146.57 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.651 ' CD1' HG22 ' A' ' 17' ' ' ILE . 81.6 m95 -77.4 122.33 25.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -67.33 -24.04 65.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.479 ' ND2' HD12 ' A' ' 34' ' ' ILE . 32.2 p30 -124.93 170.36 11.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -79.54 -32.34 42.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 8.5 pt-20 -55.57 -13.77 1.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.609 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 2.4 mmmp? 63.12 37.38 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 t -110.04 -37.85 5.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.479 HD12 ' ND2' ' A' ' 29' ' ' ASN . 40.7 mt -106.79 138.78 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -148.54 173.68 12.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -127.49 134.72 49.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.428 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 13.8 tt -114.05 134.9 22.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 111.109 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.8 Cg_endo -69.74 113.49 3.39 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.731 2.288 . . . . 0.0 112.37 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.789 0.328 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -33.96 -39.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.1 tp -73.57 -67.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -47.25 -52.89 14.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HD3' ' CH2' ' A' ' 78' ' ' TRP . 17.7 tptm -47.6 -57.41 5.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.98 -42.54 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.531 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 34.0 t-105 -56.96 -50.17 73.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.68 -62.43 1.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.597 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.4 Cg_exo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 121.642 0.601 . . . . 0.0 112.336 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.1 Cg_exo -48.01 -40.44 33.35 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.7 m -67.4 -48.98 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.561 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 7.4 m0 -61.41 -45.34 94.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -63.76 -47.64 80.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.8 m -61.31 -46.29 90.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -51.86 -58.66 5.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.9 tp -65.97 -53.6 36.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -44.67 -51.49 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.98 -53.99 22.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.495 ' O ' ' HG3' ' A' ' 88' ' ' LYS . . . -59.11 -47.65 84.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.7 tp -41.88 -21.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ALA . 5.8 t-20 -96.84 -54.54 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -49.7 -30.87 9.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.9 p -55.91 102.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -76.92 -26.58 54.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 113' ' ' VAL . 2.3 p-10 -78.2 10.78 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -116.6 143.34 45.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.433 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.8 tt0 -109.9 144.94 37.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -85.13 108.08 17.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.74 HD11 ' HB2' ' A' ' 111' ' ' ARG . 13.6 mt -96.75 18.02 15.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 95' ' ' LEU . 2.6 p -35.96 -34.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.194 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 95' ' ' LEU . 81.3 mt-10 -46.04 -44.13 15.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -88.24 -25.21 22.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.8 p -52.04 139.9 21.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.554 ' HB3' HD12 ' A' ' 103' ' ' ILE . 14.6 mm-40 -125.6 106.04 9.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.2 mt -113.75 13.16 18.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -117.98 18.0 14.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.728 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -115.84 177.61 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 t -43.05 -59.47 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.468 ' O ' HD11 ' A' ' 103' ' ' ILE . 64.6 m-20 -112.62 105.37 56.0 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.556 0.693 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.2 Cg_endo -69.77 151.79 69.12 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.341 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.457 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 49.0 p90 -165.77 152.1 9.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -112.01 124.67 52.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.613 HG12 HD12 ' A' ' 95' ' ' LEU . 60.0 t -92.94 144.94 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -145.13 158.41 43.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.74 ' HB2' HD11 ' A' ' 95' ' ' LEU . 6.2 ttt180 -122.96 126.5 47.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 71.2 mt -72.87 102.01 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 91' ' ' ASP . 7.5 t -81.01 124.05 81.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.681 0.753 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.96 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.664 2.243 . . . . 0.0 112.372 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.839 0.352 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -44.77 -64.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -64.18 -53.67 45.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.57 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 76.4 t90 -40.73 -59.59 1.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.473 HD23 ' HE2' ' A' ' 92' ' ' PHE . 50.6 tp -57.32 -59.65 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.884 ' HA ' HD12 ' A' ' 17' ' ' ILE . 49.8 mt -44.03 -39.94 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -61.46 -40.67 95.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -64.27 -38.08 89.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.884 HD12 ' HA ' ' A' ' 14' ' ' ILE . 8.9 mt -67.01 -49.87 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -51.83 -55.83 17.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.2 p -54.03 -33.32 56.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.29 27.19 68.84 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -69.55 -38.84 77.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.499 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 3.2 m-85 -87.98 141.21 31.23 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.703 0.763 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.36 56.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.38 -43.67 3.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.524 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.81 102.43 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.3 m -150.44 146.38 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 93.0 m95 -77.15 109.75 11.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -55.35 -30.05 59.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.479 ' CG ' ' CG ' ' A' ' 31' ' ' GLU . 42.3 p30 -123.08 153.08 40.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.4 -31.77 73.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.479 ' CG ' ' CG ' ' A' ' 29' ' ' ASN . 12.7 pt-20 -54.52 -14.12 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.597 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 0.8 OUTLIER 62.74 36.11 13.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.9 m -108.31 -37.7 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.445 HD12 ' ND2' ' A' ' 29' ' ' ASN . 25.9 mt -110.74 139.89 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -145.19 167.87 21.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' HB2' ' CD2' ' A' ' 107' ' ' TYR . 1.4 ptt180 -121.48 139.57 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.71 HG22 ' O ' ' A' ' 108' ' ' LYS . 7.8 tt -116.87 134.63 22.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.651 0.739 . . . . 0.0 111.08 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.446 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.1 Cg_endo -69.8 111.78 2.91 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.732 2.288 . . . . 0.0 112.296 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.406 ' O ' ' HG2' ' A' ' 106' ' ' PRO . 2.4 t-105 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.802 0.334 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.41 -54.14 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.499 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 49.6 tp -57.94 -55.88 29.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.574 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 67.8 m-85 -57.87 -66.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.513 ' HD2' ' CZ3' ' A' ' 78' ' ' TRP . 54.2 tttt -35.32 -46.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.4 -48.0 77.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.57 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 57.8 t-105 -52.87 -47.5 67.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.544 ' CB ' ' CD1' ' A' ' 78' ' ' TRP . . . -55.8 -51.53 67.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.908 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.599 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 66.0 Cg_exo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 121.55 0.563 . . . . 0.0 112.323 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.4 Cg_exo -48.02 -52.31 8.46 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.365 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.0 m -66.33 -44.96 81.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.544 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 22.9 m0 -54.74 -44.82 73.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.574 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 62.2 tttt -68.86 -58.64 3.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.3 m -44.83 -43.09 8.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -54.53 -57.1 12.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.518 HD23 ' CE1' ' A' ' 56' ' ' PHE . 16.7 tp -63.56 -51.88 63.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -45.49 -44.2 12.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.32 -48.88 47.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 86' ' ' LEU . . . -58.08 -63.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 85' ' ' ALA . 27.4 tp -35.68 -49.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.51 -44.12 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -41.23 67.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 t -56.21 102.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -64.84 -38.17 90.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -57.5 -12.6 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.473 ' HE2' HD23 ' A' ' 13' ' ' LEU . 3.2 m-85 -108.98 133.51 52.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.492 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.5 tt0 -109.83 153.8 23.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 9.5 tt0 -111.35 116.05 30.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 111' ' ' ARG . 17.6 mt -92.74 101.96 14.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.439 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.1 OUTLIER -79.16 -36.81 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -48.59 -30.77 5.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -100.93 -15.3 17.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.439 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 42.8 p -61.09 127.49 31.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.548 ' HB3' HD12 ' A' ' 103' ' ' ILE . 27.3 mm-40 -121.72 102.05 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.509 HD21 ' HG3' ' A' ' 108' ' ' LYS . 8.8 mt -116.79 14.0 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -117.5 18.03 14.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.79 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -117.62 171.02 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 103' ' ' ILE . 2.0 m -35.63 -56.16 0.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.547 ' O ' HD11 ' A' ' 103' ' ' ILE . 0.9 OUTLIER -115.82 105.58 51.26 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 110.865 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.7 Cg_endo -69.78 139.81 41.07 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.625 2.217 . . . . 0.0 112.352 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.506 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 49.0 p90 -157.9 146.0 18.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.71 ' O ' HG22 ' A' ' 37' ' ' ILE . 18.7 mttm -107.05 129.93 54.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.7 t -88.93 147.1 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 94' ' ' GLU . 10.8 m-85 -134.36 170.53 15.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.769 ' HB2' HD11 ' A' ' 95' ' ' LEU . 7.6 ttt85 -139.68 125.17 19.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 93.3 mt -74.25 102.38 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.492 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 3.3 t -72.68 124.74 91.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.653 0.74 . . . . 0.0 111.109 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 178.05 4.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.685 2.257 . . . . 0.0 112.343 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.746 0.307 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -39.49 -67.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.478 ' C ' ' CD ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -63.95 -55.65 20.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' GLN . 90.7 t90 -36.7 -59.63 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.42 ' HG ' HD11 ' A' ' 17' ' ' ILE . 49.3 tp -59.79 -53.63 55.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.6 mt -45.41 -44.49 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.38 -36.86 81.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -66.57 -43.37 85.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.498 HG22 ' CD1' ' A' ' 27' ' ' TRP . 8.3 mt -69.65 -45.12 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.517 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 14.5 t0 -58.97 -47.08 86.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 p -59.16 -33.47 70.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.59 27.78 72.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -72.6 -38.55 67.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.535 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 3.5 m-85 -90.16 145.06 32.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.667 0.746 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 154.4 67.82 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.327 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.68 -48.64 2.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.404 ' HG ' HG23 ' A' ' 17' ' ' ILE . 12.0 tp -61.24 102.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.7 m -149.57 146.14 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.649 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 90.6 m95 -77.29 114.16 15.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -55.06 -29.61 57.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.508 ' ND2' ' CG ' ' A' ' 31' ' ' GLU . 44.3 p30 -123.27 170.8 9.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -79.76 -35.68 38.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.508 ' CG ' ' ND2' ' A' ' 29' ' ' ASN . 8.0 pt-20 -53.73 -14.63 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.649 ' HD3' ' CD1' ' A' ' 27' ' ' TRP . 6.4 mmtp 64.71 33.17 10.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.429 ' HB2' HD12 ' A' ' 34' ' ' ILE . 7.2 m -98.04 -41.48 7.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.429 HD12 ' HB2' ' A' ' 33' ' ' SER . 3.7 mp -112.47 141.79 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.406 ' N ' ' CD1' ' A' ' 35' ' ' PHE . 4.9 p90 -144.64 175.18 10.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.552 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 3.2 ptt180 -129.39 134.03 47.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 108' ' ' LYS . 17.1 tt -114.02 131.45 23.16 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.644 0.735 . . . . 0.0 111.078 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.415 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.4 Cg_endo -69.74 116.06 4.38 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.789 0.328 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.15 -42.74 73.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.535 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 11.6 tp -63.44 -51.57 65.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.418 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 58.1 m-85 -51.88 -45.22 64.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 58' ' ' ALA . 39.7 mtpt -57.56 -55.64 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' LYS . . . -37.14 -43.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.404 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 22.4 t-105 -61.65 -55.89 25.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.49 ' HB2' ' HD3' ' A' ' 81' ' ' ARG . . . -56.43 -43.61 79.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.589 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.0 Cg_exo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 121.607 0.586 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.2 Cg_exo -47.97 -38.22 31.01 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.649 2.233 . . . . 0.0 112.356 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.5 m -72.41 -50.65 24.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.554 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 10.1 m0 -58.54 -52.27 66.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 29.0 mttt -52.04 -58.95 5.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.5 m -54.06 -49.06 69.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.49 ' HD3' ' HB2' ' A' ' 60' ' ' ALA . 5.9 mtp180 -43.59 -60.55 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.5 tp -65.06 -40.36 94.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -52.72 -42.64 65.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.2 t -68.22 -46.04 71.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.61 -54.74 43.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.3 tp -44.09 -54.31 5.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -61.12 -45.33 95.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -56.0 -42.84 77.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.7 t -53.18 107.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -77.64 -29.51 51.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.58 7.64 4.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -119.86 135.77 54.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.453 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.4 tt0 -111.46 141.07 45.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.472 ' HA ' ' CD2' ' A' ' 110' ' ' TYR . 1.7 tt0 -92.05 113.43 25.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.97 HD11 ' HB2' ' A' ' 111' ' ' ARG . 28.2 mt -98.27 102.04 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.448 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.1 OUTLIER -87.88 -35.78 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -48.9 -40.78 31.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -89.6 -16.52 30.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.448 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 26.9 p -59.76 126.82 29.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.518 ' HB3' HD12 ' A' ' 103' ' ' ILE . 8.8 mm-40 -119.88 103.15 9.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 mt -116.13 12.58 15.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -111.92 2.15 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.641 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -101.6 164.14 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 103' ' ' ILE . 9.8 t -32.04 -58.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.616 ' O ' HD11 ' A' ' 103' ' ' ILE . 5.9 m-20 -110.52 102.12 50.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.4 Cg_endo -69.76 148.48 65.17 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.338 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.552 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 33.7 p90 -166.46 154.33 10.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.42 ' O ' HG22 ' A' ' 37' ' ' ILE . 64.2 mttt -108.95 131.15 55.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.505 HG12 HD12 ' A' ' 95' ' ' LEU . 91.3 t -93.56 139.42 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.472 ' CD2' ' HA ' ' A' ' 94' ' ' GLU . 9.8 m-85 -130.94 168.87 16.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.97 ' HB2' HD11 ' A' ' 95' ' ' LEU . 6.0 ttt180 -133.05 126.0 30.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 86.5 mt -73.88 102.78 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.453 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 4.0 t -76.71 125.05 87.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.74 . . . . 0.0 111.129 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -178.68 2.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.303 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.683 HD22 ' HB1' ' A' ' 85' ' ' ALA . 10.6 tp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.824 0.345 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -40.66 -66.21 0.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 12' ' ' TRP . 15.5 tp60 -63.54 -55.01 27.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.512 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 83.7 t90 -36.7 -61.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 16' ' ' GLN . 46.9 tp -54.72 -61.06 2.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.83 ' HA ' HD12 ' A' ' 17' ' ' ILE . 71.8 mt -41.04 -42.89 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -60.63 -39.59 88.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.443 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 50.1 mm-40 -64.57 -39.08 93.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.83 HD12 ' HA ' ' A' ' 14' ' ' ILE . 7.4 mt -67.99 -51.97 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -49.33 -54.24 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 p -56.94 -33.53 67.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.08 29.59 74.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -73.46 -38.7 65.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.759 0.314 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.443 ' CE1' ' HB3' ' A' ' 16' ' ' GLN . 1.6 m-85 -89.18 142.05 29.69 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.651 0.739 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 150.17 68.16 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.71 2.273 . . . . 0.0 112.358 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.2 -31.45 2.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.566 ' CD1' ' CE1' ' A' ' 35' ' ' PHE . 12.8 tp -77.64 105.42 8.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.4 m -156.04 145.31 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.6 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 87.9 m95 -77.34 124.09 27.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -72.2 -25.87 61.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.8 HD22 HD12 ' A' ' 34' ' ' ILE . 35.4 p30 -122.36 175.61 6.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -81.98 -34.48 29.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 8.7 pt-20 -55.51 -13.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.6 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 18.8 mmtm 63.12 32.03 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.7 t -105.67 -37.43 6.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.8 HD12 HD22 ' A' ' 29' ' ' ASN . 27.9 mt -102.19 130.23 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.566 ' CE1' ' CD1' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -147.19 165.06 31.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.428 ' N ' ' CD1' ' A' ' 35' ' ' PHE . 1.6 ptp180 -115.39 133.48 56.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.485 ' HB ' ' CE1' ' A' ' 35' ' ' PHE . 16.6 tt -113.28 130.19 23.87 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.667 0.746 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 111.37 2.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.323 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.838 0.352 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.79 -46.72 67.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.3 tp -58.79 -61.8 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -52.81 -49.28 65.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.444 ' HG2' ' CD1' ' A' ' 61' ' ' LEU . 33.1 tttt -56.63 -47.93 78.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.38 -46.84 47.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.512 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 73.6 t-105 -53.28 -52.79 57.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.07 -62.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.047 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.444 ' CD1' ' HG2' ' A' ' 57' ' ' LYS . 5.4 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.586 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.5 Cg_exo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 121.585 0.577 . . . . 0.0 112.356 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.2 Cg_exo -48.01 -18.93 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.702 2.268 . . . . 0.0 112.318 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.8 m -92.85 -44.86 8.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.471 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 3.5 m0 -65.09 -58.45 6.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -48.74 -53.94 16.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.1 m -55.57 -61.56 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -41.49 -67.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.9 tp -53.69 -44.33 69.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -55.26 -40.02 70.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.23 -50.25 61.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.683 ' HB1' HD22 ' A' ' 9' ' ' LEU . . . -54.23 -42.7 70.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.6 tp -48.4 -48.81 36.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -65.79 -46.04 80.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -50.53 -40.17 51.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.6 m -52.31 116.88 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.808 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -86.35 -29.33 23.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 113' ' ' VAL . 3.0 m-20 -77.84 9.22 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -106.72 142.67 35.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 5.9 tp10 -109.69 149.87 29.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.459 ' HG2' HG12 ' A' ' 96' ' ' VAL . 9.5 tt0 -93.6 113.21 25.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.782 HD12 HG12 ' A' ' 109' ' ' VAL . 9.2 mt -102.07 18.02 21.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.869 HG13 ' OE1' ' A' ' 97' ' ' GLU . 6.6 p -32.32 -30.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.869 ' OE1' HG13 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -48.73 -42.75 36.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -91.94 -23.35 19.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.441 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 26.1 p -52.01 126.32 18.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.588 ' HB3' HD12 ' A' ' 103' ' ' ILE . 11.3 mm-40 -118.43 108.69 15.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.0 mt -117.01 15.43 15.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.93 17.64 14.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.798 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -117.41 177.43 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.0 m -44.11 -59.63 2.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -110.5 103.3 53.94 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.564 0.697 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.4 Cg_endo -69.79 143.11 49.69 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.311 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 46.7 p90 -156.66 150.9 25.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.978 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 99' ' ' SER . 41.1 mttm -114.16 124.34 51.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.782 HG12 HD12 ' A' ' 95' ' ' LEU . 90.4 t -89.82 137.94 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -140.67 149.28 42.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.741 ' HB2' HD11 ' A' ' 95' ' ' LEU . 7.1 ttt85 -117.75 121.12 39.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 78.3 mt -72.7 101.96 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.483 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 4.0 t -75.82 119.64 78.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.62 0.724 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 179.79 3.42 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.722 2.281 . . . . 0.0 112.318 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -39.55 -62.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -68.3 -52.12 37.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -39.93 -60.48 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.572 HD23 ' HE2' ' A' ' 92' ' ' PHE . 50.7 tp -56.17 -61.9 2.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.438 ' HA ' HD12 ' A' ' 17' ' ' ILE . 85.4 mt -41.4 -41.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.22 -37.65 83.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 13' ' ' LEU . 49.6 mm-40 -66.59 -42.26 87.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.629 HG22 ' CD1' ' A' ' 27' ' ' TRP . 14.1 mt -67.73 -51.54 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.438 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 3.1 t70 -53.91 -44.07 70.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 p -63.94 -34.1 77.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.97 29.05 73.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -71.95 -41.47 67.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.751 0.31 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.422 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 2.0 m-85 -88.55 143.65 32.45 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.674 0.75 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 148.27 65.06 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.748 2.299 . . . . 0.0 112.334 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.33 -43.34 3.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.509 HD11 HG12 ' A' ' 17' ' ' ILE . 15.5 tp -67.42 102.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.9 m -148.34 147.47 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.629 ' CD1' HG22 ' A' ' 17' ' ' ILE . 98.0 m95 -78.46 116.65 19.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -58.68 -28.34 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.451 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 43.2 p30 -121.26 178.22 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -86.52 -30.86 21.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.4 pt-20 -61.92 -14.83 38.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.595 ' HD3' ' CD1' ' A' ' 27' ' ' TRP . 24.5 mmtm 65.79 34.63 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.52 ' HB2' HD12 ' A' ' 34' ' ' ILE . 6.3 m -97.16 -42.09 8.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.52 HD12 ' HB2' ' A' ' 33' ' ' SER . 4.5 mp -113.17 141.6 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.405 ' CD1' ' CZ3' ' A' ' 27' ' ' TRP . 6.6 p90 -147.1 174.8 11.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 0.4 OUTLIER -127.26 137.03 52.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 108' ' ' LYS . 4.7 tt -116.18 133.88 22.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.6 Cg_endo -69.76 122.58 9.26 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.692 2.262 . . . . 0.0 112.321 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.938 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.624 ' HB1' ' CE3' ' A' ' 78' ' ' TRP . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.805 0.336 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.12 -44.67 45.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.422 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 14.2 tp -66.95 -61.22 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.939 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -48.53 -54.79 13.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.582 ' HD3' ' CZ2' ' A' ' 78' ' ' TRP . 1.0 OUTLIER -42.35 -56.45 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.04 -48.34 11.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.421 ' O ' ' C ' ' A' ' 60' ' ' ALA . 39.7 t-105 -62.27 -63.26 1.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 59' ' ' TRP . . . -36.24 -54.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.598 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.1 Cg_exo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 121.607 0.586 . . . . 0.0 112.377 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.0 Cg_exo -48.0 -41.91 32.53 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.451 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 16.3 m -67.11 -48.56 67.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.624 ' CE3' ' HB1' ' A' ' 53' ' ' ALA . 4.2 m0 -62.2 -55.0 32.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -53.64 -59.05 5.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.5 m -57.1 -50.51 72.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 77' ' ' THR . 0.7 OUTLIER -40.75 -58.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.4 -48.79 71.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -41.63 -42.56 2.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.67 -44.33 74.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 86' ' ' LEU . . . -59.12 -62.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 85' ' ' ALA . 12.9 tp -35.91 -49.34 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -69.85 -45.13 68.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -52.95 -43.86 66.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.1 t -53.24 117.83 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -81.51 -27.34 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 113' ' ' VAL . 88.3 m-20 -77.68 8.43 4.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.572 ' HE2' HD23 ' A' ' 13' ' ' LEU . 4.4 m-85 -121.07 133.93 55.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.449 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.7 tt0 -109.94 141.35 42.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 1.1 tt0 -93.59 113.05 25.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.807 HD11 ' HB2' ' A' ' 111' ' ' ARG . 26.1 mt -97.49 101.99 13.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.451 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.0 OUTLIER -87.67 -35.68 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -51.62 -40.54 60.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -89.49 -17.66 28.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.451 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 9.2 p -59.8 140.88 56.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.773 ' HB3' HD12 ' A' ' 103' ' ' ILE . 41.1 mm-40 -131.54 102.14 5.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.448 HD11 ' NZ ' ' A' ' 108' ' ' LYS . 8.0 mt -117.45 14.83 14.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -117.9 9.6 12.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.796 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -109.12 167.4 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 103' ' ' ILE . 7.7 m -33.87 -55.13 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.528 ' O ' HD11 ' A' ' 103' ' ' ILE . 0.7 OUTLIER -113.99 104.55 54.93 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.629 0.728 . . . . 0.0 110.851 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 54.1 Cg_endo -69.72 147.7 63.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.38 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.45 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 32.3 p90 -166.29 152.03 8.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.528 ' O ' HG22 ' A' ' 37' ' ' ILE . 19.5 mttm -111.42 123.54 50.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.593 HG12 HD12 ' A' ' 95' ' ' LEU . 94.0 t -85.3 146.07 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.512 ' CE2' ' HB2' ' A' ' 94' ' ' GLU . 9.7 m-85 -139.66 167.94 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.807 ' HB2' HD11 ' A' ' 95' ' ' LEU . 8.4 ttt180 -131.26 126.94 36.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 84.4 mt -72.99 102.52 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.078 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.449 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 3.5 t -77.96 127.04 82.9 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.648 0.737 . . . . 0.0 111.132 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -175.71 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.812 0.339 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 92' ' ' PHE . 21.2 ttt-85 -44.27 -67.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -70.57 -49.96 42.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.544 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 76.2 t90 -41.25 -63.7 0.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' GLN . 29.4 tp -56.25 -57.03 13.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.6 mt -42.86 -40.23 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -65.32 -34.39 78.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' LEU . 40.0 mm-40 -71.04 -40.99 71.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.699 HG22 ' CD1' ' A' ' 27' ' ' TRP . 18.4 mt -67.21 -45.44 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -56.76 -44.39 81.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 p -65.87 -37.4 86.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.48 29.89 74.54 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -74.02 -38.28 64.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -88.91 142.1 30.16 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.673 0.749 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 153.45 69.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.282 . . . . 0.0 112.339 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.37 -41.04 2.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.416 HD11 HG12 ' A' ' 17' ' ' ILE . 17.8 tp -72.9 102.23 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.6 m -146.87 148.38 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.699 ' CD1' HG22 ' A' ' 17' ' ' ILE . 99.8 m95 -77.5 116.25 17.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -58.36 -29.7 66.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.441 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 35.0 p30 -120.95 176.47 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -84.35 -31.39 24.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.441 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.9 pt-20 -61.47 -13.92 24.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.621 ' CD ' ' CD1' ' A' ' 27' ' ' TRP . 16.7 mmtm 64.78 37.41 7.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.443 ' HB2' HD12 ' A' ' 34' ' ' ILE . 36.6 m -102.96 -37.38 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.443 HD12 ' HB2' ' A' ' 33' ' ' SER . 4.1 mp -115.85 127.6 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.499 ' CG ' HD13 ' A' ' 17' ' ' ILE . 12.0 p90 -131.83 174.62 9.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.491 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 1.7 ptt180 -129.09 136.02 49.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.488 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 2.7 tt -114.22 137.3 22.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.488 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.3 Cg_endo -69.8 117.95 5.39 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.719 2.279 . . . . 0.0 112.292 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.539 ' CD2' ' HD2' ' A' ' 108' ' ' LYS . 4.5 t-105 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.776 0.322 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.49 -32.05 73.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 tp -84.87 -55.2 4.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.581 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 96.6 m-85 -45.36 -49.11 13.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 58' ' ' ALA . 19.6 ptmt -54.32 -50.51 67.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.513 ' N ' ' HG3' ' A' ' 57' ' ' LYS . . . -48.39 -36.7 15.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.544 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 67.4 t-105 -65.99 -46.09 79.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.52 -52.15 54.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.588 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.5 Cg_exo . . . . . 0 C--O 1.232 0.193 0 CA-C-O 121.567 0.57 . . . . 0.0 112.362 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.7 Cg_exo -48.01 -48.93 15.03 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.2 m -62.62 -47.8 82.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.452 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 33.4 m0 -57.02 -43.14 81.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.581 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -66.87 -68.27 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.3 m -42.93 -60.1 1.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.458 ' N ' ' HD2' ' A' ' 81' ' ' ARG . 2.1 mpt_? -42.03 -52.31 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 83' ' ' ARG . 15.2 tp -64.06 -62.05 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.458 ' CD ' ' HE2' ' A' ' 79' ' ' LYS . 23.4 mtp180 -34.71 -38.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.2 t -69.89 -58.65 3.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -48.78 -49.36 39.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.7 tp -52.57 -41.07 63.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -73.0 -52.35 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -51.6 -50.09 60.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 m -53.84 102.24 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.411 ' C ' ' N ' ' A' ' 92' ' ' PHE . 50.7 t30 -68.96 -43.29 75.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -43.29 -23.72 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.439 ' CZ ' ' HA ' ' A' ' 10' ' ' ARG . 3.2 m-85 -100.59 135.49 41.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.482 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.7 tt0 -109.43 144.68 37.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.556 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 1.0 OUTLIER -100.35 117.73 35.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.918 HD11 ' HB2' ' A' ' 111' ' ' ARG . 18.5 mt -101.67 102.03 12.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.458 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.1 OUTLIER -88.17 -33.89 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -49.98 -39.15 40.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' A' ' 98' ' ' ARG . 5.9 mtt180 -91.29 -14.94 29.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.458 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 34.7 p -60.03 137.09 58.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.503 ' HB2' ' CE2' ' A' ' 107' ' ' TYR . 28.4 mm-40 -125.95 103.67 7.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.1 mt -109.3 -14.25 14.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -89.6 17.81 6.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.52 HD11 ' CE2' ' A' ' 107' ' ' TYR . 11.6 pt -112.85 157.49 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 103' ' ' ILE . 23.2 t -35.93 -43.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 3.1 m-20 -121.19 101.99 43.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.615 0.721 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 54.5 Cg_endo -69.7 140.74 43.63 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.345 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.52 ' CE2' HD11 ' A' ' 103' ' ' ILE . 44.8 p90 -158.03 148.77 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.539 ' HD2' ' CD2' ' A' ' 39' ' ' TRP . 14.9 mttm -107.92 127.04 53.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.476 HG12 HD12 ' A' ' 95' ' ' LEU . 97.2 t -88.49 145.66 7.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 94' ' ' GLU . 11.3 m-85 -136.43 168.23 19.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.918 ' HB2' HD11 ' A' ' 95' ' ' LEU . 6.6 ttt85 -135.87 126.15 26.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 94.2 mt -76.43 102.68 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 2.5 t -74.34 126.18 89.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 111.134 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 179.98 3.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.402 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 tp . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.819 0.343 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -42.38 -63.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -70.17 -49.85 46.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.569 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 79.9 t90 -41.76 -60.8 1.25 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.478 ' HG ' HD11 ' A' ' 17' ' ' ILE . 54.6 tp -53.88 -58.02 8.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.417 ' HA ' HD12 ' A' ' 17' ' ' ILE . 60.1 mt -42.95 -43.66 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.106 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -60.82 -40.16 91.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -65.79 -44.86 84.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.561 HG22 ' NE1' ' A' ' 27' ' ' TRP . 14.4 mt -64.19 -42.24 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -63.13 -53.75 48.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 p -52.03 -31.7 31.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.5 30.31 76.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -75.01 -39.46 61.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.456 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 2.4 m-85 -90.23 139.78 27.1 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.672 0.749 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 149.99 67.61 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.246 . . . . 0.0 112.395 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.89 -46.17 3.64 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.4 tp -64.08 101.97 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.5 m -144.74 146.72 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.095 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.61 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 97.1 m95 -77.68 114.3 16.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.22 -31.22 69.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.462 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 41.3 p30 -121.67 145.23 48.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 31.8 mt-10 -57.28 -35.55 69.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.462 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 8.4 pt-20 -52.42 -15.03 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.61 ' HD3' ' CD1' ' A' ' 27' ' ' TRP . 13.3 mmtp 63.92 35.19 11.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.5 m -104.32 -37.54 7.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.445 HD12 ' ND2' ' A' ' 29' ' ' ASN . 19.1 mt -113.15 145.36 19.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -150.67 174.65 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.577 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 0.5 OUTLIER -127.23 136.17 51.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 108' ' ' LYS . 10.8 tt -113.76 132.1 22.76 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.734 . . . . 0.0 111.099 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 112.3 3.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.371 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.79 0.328 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -34.41 -43.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.077 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 10.2 tp -73.89 -67.89 0.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.577 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 89.2 m-85 -42.23 -53.99 3.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.538 ' HG3' ' CE2' ' A' ' 78' ' ' TRP . 59.3 tttt -55.33 -58.77 6.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -39.32 -55.08 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.569 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 57.5 t-105 -49.58 -50.26 43.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.5 76.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.079 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.42 HD11 ' HE2' ' A' ' 57' ' ' LYS . 14.6 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.597 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.3 Cg_exo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 121.594 0.581 . . . . 0.0 112.345 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 63.9 Cg_exo -47.93 -49.14 14.43 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.458 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 88.6 m -60.53 -47.41 86.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.573 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 14.5 m0 -61.75 -54.2 45.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.577 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 24.4 ttmt -57.33 -55.9 28.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.9 m -57.38 -48.41 79.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 77' ' ' THR . 2.4 mmp_? -50.75 -56.49 11.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 38.7 tp -63.63 -41.3 98.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -52.26 -49.8 63.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.82 -44.01 97.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.51 -51.69 68.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.1 tp -45.03 -40.76 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -77.55 -46.53 22.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -53.22 -42.9 66.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.5 p -54.63 111.11 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -74.94 -30.14 61.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.1 m-20 -75.61 10.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.414 ' HE2' HD23 ' A' ' 13' ' ' LEU . 5.7 m-85 -124.94 133.83 52.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.475 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.5 tt0 -110.38 136.57 49.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 110' ' ' TYR . 0.8 OUTLIER -88.0 112.14 22.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.856 HD11 ' HB2' ' A' ' 111' ' ' ARG . 29.6 mt -96.57 102.04 13.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.476 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.0 OUTLIER -89.01 -34.25 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -51.08 -40.92 59.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -89.89 -14.3 34.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.476 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 21.7 p -61.38 129.94 43.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.91 ' HB3' HD12 ' A' ' 103' ' ' ILE . 10.6 mm-40 -122.1 102.0 7.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.1 mt -118.02 10.47 13.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -112.11 5.06 18.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.91 HD12 ' HB3' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -105.02 168.0 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 103' ' ' ILE . 29.9 m -32.03 -59.39 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.544 ' O ' HD11 ' A' ' 103' ' ' ILE . 10.0 m-20 -111.68 105.46 56.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.4 Cg_endo -69.73 149.35 66.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.279 . . . . 0.0 112.314 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.577 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 44.8 p90 -167.45 153.78 7.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.594 ' O ' HG22 ' A' ' 37' ' ' ILE . 63.4 mttt -112.2 126.58 55.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.504 HG12 HD12 ' A' ' 95' ' ' LEU . 89.5 t -89.07 148.47 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 94' ' ' GLU . 8.7 m-85 -140.57 170.64 15.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.856 ' HB2' HD11 ' A' ' 95' ' ' LEU . 12.4 ttt180 -135.16 124.62 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 79.3 mt -71.11 104.0 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 91' ' ' ASP . 5.0 t -80.06 122.68 83.34 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -174.94 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.272 . . . . 0.0 112.355 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 10' ' ' ARG . 8.4 tp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.784 0.326 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 9' ' ' LEU . 3.3 tmt_? -35.8 -66.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' TRP . 2.2 tp60 -71.86 -53.77 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.424 ' C ' ' O ' ' A' ' 11' ' ' GLN . 91.5 t90 -36.58 -61.52 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 16' ' ' GLN . 39.5 tp -52.96 -60.74 2.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.3 mt -42.08 -42.82 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.44 -38.63 81.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.462 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 40.7 mm-40 -68.8 -43.31 75.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.577 HG22 ' NE1' ' A' ' 27' ' ' TRP . 20.1 mt -66.01 -51.66 57.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -52.44 -47.52 66.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.1 p -62.43 -34.57 77.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.9 27.57 71.44 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -72.39 -37.88 68.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.5 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 2.7 m-85 -87.57 141.81 32.43 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.725 0.774 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 147.16 62.44 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.689 2.259 . . . . 0.0 112.299 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.13 -38.49 2.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.3 tp -69.87 108.06 3.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 110.945 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.5 m -156.41 149.73 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.629 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 89.5 m95 -77.83 121.16 23.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -63.88 -26.21 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.449 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 33.4 p30 -124.44 168.07 13.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.13 -30.07 49.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.449 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.2 pt-20 -57.35 -13.58 3.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.629 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 2.2 mmmm 63.01 35.21 13.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.1 m -106.19 -37.39 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.429 HD12 ' ND2' ' A' ' 29' ' ' ASN . 19.7 mt -111.58 140.6 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.153 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.423 ' CG ' HD13 ' A' ' 17' ' ' ILE . 22.6 p90 -145.43 166.72 24.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.545 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 0.9 OUTLIER -121.47 134.12 55.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.462 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 7.7 tt -115.32 136.13 22.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.462 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 54.1 Cg_endo -69.76 113.16 3.28 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.38 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.797 0.332 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.62 -42.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.5 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 29.2 tp -71.89 -60.66 2.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -51.0 -59.26 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.401 ' HG3' ' CE3' ' A' ' 78' ' ' TRP . 19.5 mtpp -52.07 -58.68 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -38.11 -43.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -55.68 -55.91 26.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.82 -61.6 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.596 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 66.0 Cg_exo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 121.613 0.589 . . . . 0.0 112.334 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.0 Cg_exo -47.93 -27.46 8.73 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.659 2.239 . . . . 0.0 112.373 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.8 m -81.71 -47.09 13.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.472 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 6.2 m0 -63.58 -51.1 66.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -56.13 -53.86 52.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.485 ' HA ' ' CD ' ' A' ' 83' ' ' ARG . 62.2 m -59.99 -38.45 82.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -60.91 -61.59 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.8 tp -56.5 -62.42 1.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.487 ' HG3' ' N ' ' A' ' 84' ' ' CYS . 8.9 ptm180 -39.3 -41.7 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.487 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 9.7 m -61.87 -53.6 53.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.15 -38.57 83.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.7 tp -56.2 -40.85 74.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -81.7 -47.34 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -51.66 -42.9 62.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.4 p -52.11 104.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -63.68 -27.91 69.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.33 11.41 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -125.7 140.26 52.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.471 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 3.1 tt0 -116.74 141.63 47.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.542 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 2.4 tt0 -96.9 115.52 27.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.762 HD12 HG12 ' A' ' 109' ' ' VAL . 13.1 mt -98.9 101.95 13.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 96' ' ' VAL . 0.1 OUTLIER -86.55 -42.62 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.849 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -43.64 -35.96 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -93.34 -22.73 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 m -54.39 131.47 42.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 23.0 mm-40 -125.39 109.33 12.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.4 mt -115.06 -13.78 11.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -88.97 13.58 12.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.45 ' O ' ' C ' ' A' ' 104' ' ' SER . 49.7 pt -109.84 156.35 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 103' ' ' ILE . 46.4 t -33.69 -51.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.403 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 22.8 t0 -114.42 101.97 54.53 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.618 0.723 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 54.2 Cg_endo -69.69 148.44 65.52 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.361 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.545 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 30.5 p90 -164.94 152.15 11.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -111.28 133.23 53.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.762 HG12 HD12 ' A' ' 95' ' ' LEU . 52.9 t -97.51 135.41 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.542 ' CE2' ' HB2' ' A' ' 94' ' ' GLU . 12.6 m-85 -131.02 152.99 49.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.647 ' HB2' HD11 ' A' ' 95' ' ' LEU . 10.4 ttt85 -116.25 127.81 55.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 92.9 mt -73.18 102.8 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 4.7 t -79.71 127.34 78.14 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.635 0.731 . . . . 0.0 111.129 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -178.1 2.19 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.9 tp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.78 0.324 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.5 ' O ' HD12 ' A' ' 14' ' ' ILE . 19.2 tpt85 -37.85 -68.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -79.83 -44.77 19.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.425 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 88.8 t90 -41.42 -65.69 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 16' ' ' GLN . 52.2 tp -54.68 -61.88 2.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.848 ' HA ' HD12 ' A' ' 17' ' ' ILE . 92.5 mt -40.71 -40.34 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -64.34 -39.46 93.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 13' ' ' LEU . 45.9 mm-40 -63.89 -36.68 84.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 14' ' ' ILE . 7.2 mt -68.94 -49.72 60.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -53.03 -56.28 17.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.8 p -52.46 -33.05 42.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.65 30.58 77.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.544 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -75.04 -39.46 60.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.545 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 2.7 m-85 -90.71 140.95 26.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.714 0.768 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 150.26 67.96 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.634 2.223 . . . . 0.0 112.353 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.17 -32.41 3.03 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.539 ' CD1' ' CE1' ' A' ' 35' ' ' PHE . 13.2 tp -77.77 104.56 8.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.9 m -155.13 145.72 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.623 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 85.4 m95 -77.51 124.84 28.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -68.81 -26.61 65.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.444 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 36.5 p30 -123.16 170.79 9.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.42 -31.79 42.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.444 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.0 pt-20 -56.29 -13.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.623 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 2.2 mmmp? 62.94 32.01 15.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.0 m -105.85 -37.57 6.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.507 HG23 HD12 ' A' ' 95' ' ' LEU . 74.8 mt -106.73 131.01 57.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.539 ' CE1' ' CD1' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -144.18 163.82 32.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -114.64 132.74 56.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.495 ' HB ' ' CE1' ' A' ' 35' ' ' PHE . 14.3 tt -113.28 133.25 22.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.662 0.744 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 111.09 2.71 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.748 2.299 . . . . 0.0 112.309 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.458 ' CD2' ' HD2' ' A' ' 108' ' ' LYS . 3.2 t-105 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.789 0.328 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.6 -45.28 46.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.545 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 9.5 tp -59.01 -49.0 79.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.778 ' CD1' HD23 ' A' ' 82' ' ' LEU . 95.1 m-85 -61.31 -59.57 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.585 ' HD3' ' CH2' ' A' ' 78' ' ' TRP . 18.3 tptm -40.3 -54.32 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -44.49 -54.49 5.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.425 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 64.6 t-105 -53.06 -54.29 37.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.447 ' CB ' ' CD1' ' A' ' 78' ' ' TRP . . . -42.22 -44.08 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.584 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.9 Cg_exo . . . . . 0 N--CA 1.465 -0.162 0 CA-C-O 121.596 0.582 . . . . 0.0 112.364 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.0 Cg_exo -48.02 -38.41 31.7 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.695 2.264 . . . . 0.0 112.35 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.941 HG22 ' HD3' ' A' ' 81' ' ' ARG . 2.2 m -74.62 -48.21 27.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.585 ' CH2' ' HD3' ' A' ' 57' ' ' LYS . 12.5 m0 -53.4 -44.05 68.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -63.34 -43.88 96.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.931 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.5 m -65.48 -54.97 20.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.156 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.941 ' HD3' HG22 ' A' ' 77' ' ' THR . 2.4 mpt_? -51.49 -17.98 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.778 HD23 ' CD1' ' A' ' 56' ' ' PHE . 21.8 tp -94.81 -43.06 8.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.446 ' HG2' ' CH2' ' A' ' 39' ' ' TRP . 49.5 mtt180 -66.69 -40.74 88.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 81' ' ' ARG . 7.4 p -48.59 -52.61 22.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.35 -48.75 63.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.1 tp -42.91 -37.9 2.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -79.43 -45.8 18.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -51.24 -35.9 39.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.4 m -52.24 114.46 1.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -86.51 -28.35 23.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 113' ' ' VAL . 24.7 m-20 -78.02 10.0 3.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -106.33 140.2 39.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.7 tt0 -109.83 149.4 29.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.548 ' HG2' HG12 ' A' ' 96' ' ' VAL . 10.5 tt0 -96.77 110.45 22.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.76 HD12 HG12 ' A' ' 109' ' ' VAL . 14.3 mt -96.58 18.0 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.548 HG12 ' HG2' ' A' ' 94' ' ' GLU . 7.0 p -33.09 -33.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 95' ' ' LEU . 73.1 mt-10 -46.8 -44.41 19.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -90.16 -22.83 21.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.411 ' HB2' ' HA ' ' A' ' 108' ' ' LYS . 54.2 p -52.1 144.92 11.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.451 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 9.0 mm-40 -128.2 107.87 10.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.6 mt -115.93 15.38 16.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -118.03 17.52 14.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.797 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -117.09 172.1 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.7 m -39.62 -59.49 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.42 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 58.8 m-20 -111.53 102.8 54.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.484 ' HA ' HD11 ' A' ' 103' ' ' ILE . 53.7 Cg_endo -69.82 150.82 68.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.651 2.234 . . . . 0.0 112.375 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.451 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 49.9 p90 -161.87 150.47 15.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.458 ' HD2' ' CD2' ' A' ' 39' ' ' TRP . 40.5 mttm -112.35 122.31 47.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.76 HG12 HD12 ' A' ' 95' ' ' LEU . 57.3 t -87.37 132.2 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -132.41 151.3 51.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.749 ' HB2' HD11 ' A' ' 95' ' ' LEU . 13.6 ttt180 -120.82 118.74 30.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 88.2 mt -70.51 102.09 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 91' ' ' ASP . 2.9 t -76.3 127.56 84.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 0.0 111.12 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -177.09 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.513 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 5.0 tp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.778 0.323 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -39.37 -64.12 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' TRP . 10.0 tp60 -66.27 -54.58 23.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.576 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 69.9 t90 -37.83 -62.7 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.437 ' N ' ' CE3' ' A' ' 12' ' ' TRP . 48.3 tp -54.13 -63.34 1.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.593 ' HA ' HD12 ' A' ' 17' ' ' ILE . 72.9 mt -41.15 -40.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -64.7 -39.85 94.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 13' ' ' LEU . 50.3 mm-40 -62.71 -42.09 99.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.654 HG22 ' CD1' ' A' ' 27' ' ' TRP . 16.4 mt -63.24 -48.24 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -53.73 -56.23 19.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 p -52.75 -33.94 50.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.96 28.58 70.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -71.87 -38.28 70.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -86.51 140.04 33.8 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.668 0.747 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 136.63 33.48 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.56 -36.87 3.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 tp -72.97 105.11 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.4 m -153.59 147.05 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.654 ' CD1' HG22 ' A' ' 17' ' ' ILE . 87.6 m95 -78.2 122.41 25.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -65.68 -26.78 67.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.53 ' ND2' HD12 ' A' ' 34' ' ' ILE . 24.9 p30 -123.12 178.19 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -85.92 -30.75 22.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.462 ' CG ' ' ND2' ' A' ' 29' ' ' ASN . 7.7 pt-20 -55.44 -16.98 4.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.654 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 4.1 mmmm 64.56 36.88 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.4 p -111.0 -33.84 6.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.53 HD12 ' ND2' ' A' ' 29' ' ' ASN . 18.1 mt -110.43 139.03 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -150.63 172.66 15.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -124.36 136.63 54.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.686 HG22 ' O ' ' A' ' 108' ' ' LYS . 10.0 tt -113.58 132.55 22.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.639 0.733 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD2' HG13 ' A' ' 37' ' ' ILE . 54.0 Cg_endo -69.81 115.9 4.32 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.406 ' O ' ' HB2' ' A' ' 106' ' ' PRO . 1.4 t-105 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.807 0.337 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -34.5 -54.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.8 tp -57.71 -64.71 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -45.22 -58.37 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.563 ' HD2' ' CH2' ' A' ' 78' ' ' TRP . 72.9 tttt -48.48 -52.51 21.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.43 -48.58 13.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.576 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 28.9 t-105 -53.16 -61.03 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -42.53 -57.49 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.091 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.587 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.3 Cg_exo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 121.563 0.568 . . . . 0.0 112.34 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.0 Cg_exo -48.01 -56.63 2.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.26 . . . . 0.0 112.356 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.6 m -53.65 -45.88 70.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.581 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 21.1 m0 -62.04 -56.29 20.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -52.35 -61.03 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.8 m -49.58 -50.02 44.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -47.8 -64.84 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.9 tp -55.48 -54.35 44.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.405 ' HG2' ' CH2' ' A' ' 39' ' ' TRP . 43.6 mtp180 -40.44 -44.57 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.86 -48.5 71.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' LEU . . . -55.38 -62.33 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' ALA . 23.2 tp -34.1 -52.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -65.58 -47.61 75.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -51.73 -39.04 57.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.5 t -52.26 116.39 2.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -85.97 -31.21 22.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -76.02 7.26 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -114.13 139.47 49.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 0.7 OUTLIER -112.03 150.98 29.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.514 ' HG3' ' CZ ' ' A' ' 110' ' ' TYR . 4.1 tt0 -94.39 126.46 39.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.939 HD12 HG12 ' A' ' 109' ' ' VAL . 66.8 mt -105.97 20.72 18.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.549 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.1 OUTLIER -31.98 -35.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 95' ' ' LEU . 17.5 mt-10 -47.22 -45.17 23.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -89.33 -17.87 28.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.549 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 33.7 p -52.05 147.79 6.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.924 ' HB3' HD12 ' A' ' 103' ' ' ILE . 37.7 mm-40 -135.85 102.1 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.0 mt -113.99 11.07 17.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -116.67 18.04 15.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.924 HD12 ' HB3' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -117.27 172.83 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 103' ' ' ILE . 5.3 m -34.92 -60.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -113.89 107.9 51.81 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.584 0.706 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.485 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.6 Cg_endo -69.79 149.76 67.1 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 100' ' ' GLN . 49.0 p90 -168.3 154.29 7.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.978 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.686 ' O ' HG22 ' A' ' 37' ' ' ILE . 45.6 mttm -116.35 126.0 52.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.939 HG12 HD12 ' A' ' 95' ' ' LEU . 42.5 t -90.48 143.45 11.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.514 ' CZ ' ' HG3' ' A' ' 94' ' ' GLU . 11.7 m-85 -137.32 158.95 43.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.568 ' HB2' HD11 ' A' ' 95' ' ' LEU . 13.1 ttt180 -124.56 122.22 36.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.9 mt -74.39 105.88 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 3.5 t -77.75 123.42 86.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.64 0.733 . . . . 0.0 111.134 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -174.38 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.741 2.294 . . . . 0.0 112.359 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.568 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 4.8 tp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.795 0.331 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.7 tpt85 -42.87 -66.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -76.88 -46.54 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.8 t90 -40.62 -67.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.693 HD21 ' CZ ' ' A' ' 35' ' ' PHE . 24.3 tp -51.35 -62.39 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 93.2 mt -35.8 -48.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -49.37 -50.27 40.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.475 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 10.7 mm-40 -61.21 -55.47 31.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.736 HD13 ' CD1' ' A' ' 35' ' ' PHE . 20.0 mt -47.79 -41.45 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.54 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 4.7 t0 -72.02 -66.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.434 ' HB2' ' CG ' ' A' ' 21' ' ' LYS . 9.1 p -42.77 -28.13 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.17 32.41 60.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' CG ' ' HB2' ' A' ' 19' ' ' SER . 25.8 mtmt -73.35 -36.82 66.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.576 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 14.9 m-85 -86.32 139.61 34.12 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.688 0.756 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.52 50.98 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.88 -48.52 3.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.457 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -66.91 121.83 16.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.642 ' N ' HD22 ' A' ' 25' ' ' LEU . 33.5 m -162.72 169.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.689 ' CD1' HG22 ' A' ' 17' ' ' ILE . 96.9 m95 -92.63 122.04 34.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' ILE . 8.0 mt-10 -59.98 -29.73 68.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.448 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 33.9 p30 -125.34 175.95 7.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -82.14 -31.97 30.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 11.7 pt-20 -61.19 -14.06 22.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.655 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 18.9 mmtm 65.08 35.79 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.2 t -100.04 -41.42 7.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.9 mp -114.0 109.96 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.736 ' CD1' HD13 ' A' ' 17' ' ' ILE . 20.8 p90 -117.32 162.07 18.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.432 ' HB2' ' CD2' ' A' ' 107' ' ' TYR . 1.0 OUTLIER -123.97 129.09 50.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.655 HD11 ' CD2' ' A' ' 55' ' ' LEU . 11.6 tt -111.82 135.9 21.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.637 0.732 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.2 Cg_endo -69.75 115.83 4.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.434 ' O ' ' HG2' ' A' ' 106' ' ' PRO . 3.4 t-105 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.809 0.337 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.69 -37.97 74.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.655 ' CD2' HD11 ' A' ' 37' ' ' ILE . 5.4 tp -73.96 -50.24 20.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CD1' HD23 ' A' ' 82' ' ' LEU . 62.8 m-85 -59.35 -50.05 75.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.475 ' HD2' ' CH2' ' A' ' 78' ' ' TRP . 65.1 tttt -53.15 -51.04 63.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -43.68 -39.99 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 9' ' ' LEU . 44.5 t-105 -53.47 -63.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.54 -66.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.09 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.428 HD12 ' HG2' ' A' ' 57' ' ' LYS . 15.1 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.599 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.4 Cg_exo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 121.604 0.585 . . . . 0.0 112.374 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.3 Cg_exo -47.99 -31.71 16.48 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.32 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.3 m -76.67 -48.52 18.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.158 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.523 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 9.2 m0 -61.68 -47.37 85.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -57.8 -56.06 26.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.0 m -59.87 -57.46 12.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.0 mmt-85 -39.5 -64.6 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 83' ' ' ARG . 61.5 tp -60.78 -63.97 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 82' ' ' LEU . 29.6 ttt180 -35.09 -62.18 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.6 t -38.56 -62.17 0.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 87' ' ' ASN . . . -48.33 -62.09 1.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 85' ' ' ALA . 28.9 tp -33.48 -34.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.5 OUTLIER -81.4 -56.69 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -50.53 -45.98 57.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.2 m -52.07 115.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' PHE . 33.8 m120 -82.17 -37.88 25.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.8 p30 -38.42 -29.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 90' ' ' ASN . 17.4 m-30 -101.49 153.53 19.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.428 ' HB2' HG22 ' A' ' 113' ' ' VAL . 1.2 tp10 -112.76 150.54 31.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -83.06 108.77 16.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.753 HD12 HG12 ' A' ' 109' ' ' VAL . 23.8 mt -97.22 17.98 16.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 95' ' ' LEU . 10.0 p -35.72 -28.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 95' ' ' LEU . 48.8 mt-10 -48.28 -43.8 33.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -91.77 -18.74 23.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.2 m -52.52 131.38 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 14.6 mm-40 -123.53 105.01 9.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.3 mt -106.15 -11.27 16.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -92.15 17.98 8.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 104' ' ' SER . 33.3 pt -113.28 161.5 12.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 103' ' ' ILE . 8.1 t -37.08 -53.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -114.77 102.0 54.65 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.65 0.738 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 54.0 Cg_endo -69.7 148.06 64.63 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.373 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.441 ' HA ' ' O ' ' A' ' 37' ' ' ILE . 47.9 p90 -161.98 148.05 13.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.961 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -109.77 123.65 49.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.753 HG12 HD12 ' A' ' 95' ' ' LEU . 44.9 t -92.5 146.59 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -144.33 148.43 34.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.75 ' HB2' HD11 ' A' ' 95' ' ' LEU . 8.4 ttt180 -114.07 122.91 48.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 79.0 mt -71.17 102.04 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.428 HG22 ' HB2' ' A' ' 93' ' ' GLU . 2.5 t -72.3 121.83 85.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.7 . . . . 0.0 111.149 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -175.32 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.421 HD22 ' HB1' ' A' ' 85' ' ' ALA . 8.1 tp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.819 0.343 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.3 ttt-85 -45.15 -67.04 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' TRP . 3.9 tp60 -60.8 -62.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.559 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 81.7 t90 -36.23 -56.8 0.75 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.2 tp -57.3 -57.17 13.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.542 ' HA ' HD12 ' A' ' 17' ' ' ILE . 57.6 mt -47.26 -41.35 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -61.35 -36.73 81.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -66.74 -41.3 88.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 14' ' ' ILE . 9.5 mt -68.66 -49.17 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -51.46 -47.21 63.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.4 p -59.61 -34.61 72.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.827 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.29 26.41 70.55 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.442 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -71.73 -39.73 69.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.441 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 2.9 m-85 -88.99 142.26 30.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.718 0.771 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 153.35 68.95 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.346 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.71 -39.73 2.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.48 ' HG ' HG23 ' A' ' 17' ' ' ILE . 13.9 tp -69.84 104.67 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.8 m -153.32 149.65 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.626 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 96.8 m95 -77.35 119.36 20.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -59.41 -28.07 66.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.456 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 30.9 p30 -122.45 178.03 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -87.45 -27.94 22.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.456 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 8.9 pt-20 -62.22 -13.04 23.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.626 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 4.3 mmmm 64.19 38.06 8.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.8 m -104.79 -38.01 6.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.413 HD12 HD21 ' A' ' 29' ' ' ASN . 4.4 mp -114.92 142.19 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -147.44 173.61 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -129.42 135.48 48.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.457 HG13 ' HD2' ' A' ' 38' ' ' PRO . 12.3 tt -115.87 134.17 22.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.727 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.9 Cg_endo -69.7 110.35 2.52 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.721 2.281 . . . . 0.0 112.314 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.805 0.336 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.23 97.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.441 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 13.9 tp -71.31 -50.3 33.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 97.1 m-85 -54.99 -42.55 72.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.553 ' HD3' ' CZ2' ' A' ' 78' ' ' TRP . 2.3 mmmp? -51.31 -64.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -43.31 -36.55 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.642 ' CG ' HD13 ' A' ' 82' ' ' LEU . 72.9 t-105 -69.26 -48.21 62.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.69 99.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.585 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.8 Cg_exo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 121.554 0.564 . . . . 0.0 112.34 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 64.5 Cg_exo -47.94 -47.42 19.04 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.1 m -59.41 -47.62 84.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.553 ' CZ2' ' HD3' ' A' ' 57' ' ' LYS . 10.0 m0 -64.18 -58.24 7.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.564 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 28.0 tttm -49.08 -46.18 44.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.1 m -65.23 -58.15 6.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 21.2 mmt-85 -40.35 -52.09 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.642 HD13 ' CG ' ' A' ' 59' ' ' TRP . 27.1 tp -72.6 -50.18 27.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 83' ' ' ARG . 15.8 ttt180 -44.88 -43.83 9.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.1 t -63.58 -46.53 85.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.421 ' HB1' HD22 ' A' ' 9' ' ' LEU . . . -58.54 -44.09 89.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.4 tp -53.24 -38.49 63.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -81.58 -45.02 16.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -55.79 -39.42 71.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.2 p -52.01 118.0 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -80.3 -26.69 38.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 113' ' ' VAL . 0.3 OUTLIER -81.29 16.12 1.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -121.93 139.31 53.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -109.87 149.23 30.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -91.14 111.75 23.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.819 HD12 HG12 ' A' ' 109' ' ' VAL . 15.9 mt -101.64 17.98 21.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 95' ' ' LEU . 6.9 p -34.47 -32.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 95' ' ' LEU . 30.8 mt-10 -49.61 -43.55 46.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -86.49 -25.26 25.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 p -51.95 131.41 31.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 7.8 mm-40 -118.66 103.28 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.431 HD11 ' NZ ' ' A' ' 108' ' ' LYS . 7.5 mt -104.22 -11.34 17.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -90.94 13.19 17.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 104' ' ' SER . 46.4 pt -109.52 161.06 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 103' ' ' ILE . 2.8 m -36.41 -56.0 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -111.35 101.97 51.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 54.0 Cg_endo -69.75 145.87 58.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -159.36 147.03 17.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.431 ' NZ ' HD11 ' A' ' 101' ' ' LEU . 12.6 mttm -107.46 128.95 54.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.819 HG12 HD12 ' A' ' 95' ' ' LEU . 31.3 t -98.0 141.34 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -142.6 148.05 36.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.63 ' HB2' HD11 ' A' ' 95' ' ' LEU . 6.1 ttt180 -112.43 124.62 52.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.8 mt -71.85 102.25 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 91' ' ' ASP . 3.4 t -77.7 122.74 86.18 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.555 0.693 . . . . 0.0 111.159 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -172.15 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.804 0.335 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -39.88 -65.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -64.39 -52.74 56.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.459 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 88.6 t90 -39.99 -63.22 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 16' ' ' GLN . 47.5 tp -53.62 -62.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.788 ' HA ' HD12 ' A' ' 17' ' ' ILE . 72.3 mt -40.74 -40.73 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.75 -38.9 89.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 13' ' ' LEU . 56.7 mm-40 -65.18 -38.59 90.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.788 HD12 ' HA ' ' A' ' 14' ' ' ILE . 11.0 mt -66.96 -49.55 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -52.71 -51.54 59.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 p -56.13 -36.42 68.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.86 28.12 73.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -71.18 -40.74 71.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -89.22 143.18 30.63 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.681 0.753 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 152.75 69.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.634 2.222 . . . . 0.0 112.38 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.5 -42.52 2.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.0 tp -64.48 102.18 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.5 m -149.69 145.6 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.628 ' CD1' ' CD ' ' A' ' 32' ' ' LYS . 97.6 m95 -77.97 117.86 19.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.93 -27.38 65.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.455 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 41.4 p30 -123.25 178.01 5.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -85.71 -33.54 21.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.455 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 10.4 pt-20 -59.43 -14.08 10.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.628 ' CD ' ' CD1' ' A' ' 27' ' ' TRP . 23.0 mmtm 64.47 35.52 9.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.492 ' HB2' HD12 ' A' ' 34' ' ' ILE . 12.2 m -97.91 -39.92 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' ' 33' ' ' SER . 4.3 mp -115.59 141.96 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -146.2 174.53 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.82 136.25 50.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.503 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 5.2 tt -113.98 137.22 22.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.726 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.503 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.9 Cg_endo -69.75 113.49 3.39 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.804 0.335 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.84 85.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.3 tp -75.23 -44.94 43.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.531 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 68.9 m-85 -58.81 -54.88 42.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.554 ' HD2' ' CH2' ' A' ' 78' ' ' TRP . 24.1 tttm -45.85 -57.87 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' TRP . . . -44.49 -55.19 5.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.459 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 29.3 t-105 -37.4 -59.71 0.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.06 -66.35 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.594 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.5 Cg_exo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 121.587 0.578 . . . . 0.0 112.325 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.1 Cg_exo -47.98 -54.64 4.94 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.727 2.285 . . . . 0.0 112.346 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.5 m -57.0 -45.39 83.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.208 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.554 ' CH2' ' HD2' ' A' ' 57' ' ' LYS . 36.3 m0 -60.88 -57.1 14.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.531 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 12.6 ttmm -56.02 -55.71 29.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.0 m -52.71 -55.21 24.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.5 mmt-85 -43.11 -60.93 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.483 HD23 ' CE1' ' A' ' 56' ' ' PHE . 34.7 tp -62.61 -60.0 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -38.93 -44.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.1 t -65.6 -55.42 17.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.22 -43.47 64.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.0 tp -53.79 -42.37 68.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -74.15 -52.01 13.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -51.88 -46.82 64.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 m -53.48 102.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -68.17 -38.9 82.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.52 -18.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -101.54 140.14 36.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.485 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 0.6 OUTLIER -112.99 147.71 36.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.527 ' HG3' ' CZ ' ' A' ' 110' ' ' TYR . 4.0 tt0 -88.97 127.4 35.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.95 HD12 HG12 ' A' ' 109' ' ' VAL . 64.5 mt -105.75 22.89 14.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.462 ' C ' ' O ' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -31.99 -35.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 179.849 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 95' ' ' LEU . 11.9 mt-10 -47.07 -45.45 21.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -90.29 -19.43 24.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.443 ' HB2' ' HA ' ' A' ' 96' ' ' VAL . 14.2 m -52.08 137.79 26.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.645 ' HB3' HD12 ' A' ' 103' ' ' ILE . 32.7 mm-40 -128.39 104.93 7.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.3 mt -114.55 14.56 17.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -117.98 9.56 12.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.853 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.76 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -106.5 172.15 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ILE . 28.0 m -37.1 -57.81 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.477 ' O ' HD11 ' A' ' 103' ' ' ILE . 24.8 t70 -114.73 104.94 53.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.9 Cg_endo -69.69 140.64 43.43 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.692 2.262 . . . . 0.0 112.352 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -157.81 147.94 20.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.47 ' O ' HG22 ' A' ' 37' ' ' ILE . 40.5 mttt -107.09 127.06 53.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.95 HG12 HD12 ' A' ' 95' ' ' LEU . 60.6 t -91.69 149.33 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.527 ' CZ ' ' HG3' ' A' ' 94' ' ' GLU . 14.7 m-85 -144.96 152.81 40.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.961 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.569 ' HB2' HD11 ' A' ' 95' ' ' LEU . 12.5 ttt180 -119.28 129.41 54.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.6 mt -80.67 102.06 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.485 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 2.3 t -73.46 123.88 89.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.636 0.731 . . . . 0.0 111.118 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -175.93 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -76.25 -51.45 12.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.387 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -148.22 139.73 23.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.03 60.61 3.05 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -60.46 -58.63 7.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.35 . . . . 0.0 110.849 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 t -109.71 104.51 13.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.69 148.3 43.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.435 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 12' ' ' TRP . 13.0 tppt? -165.31 157.44 15.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.542 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 6.9 tp -89.15 -46.25 8.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 9' ' ' LEU . 1.7 tmt_? -35.42 -61.84 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' TRP . 32.3 tp60 -75.6 -56.6 4.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 72.6 t90 -36.81 -61.05 0.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.413 ' N ' ' CE3' ' A' ' 12' ' ' TRP . 33.2 tp -53.09 -56.3 17.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.66 ' HA ' HD12 ' A' ' 17' ' ' ILE . 72.3 mt -46.84 -40.91 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -61.68 -37.27 83.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -65.99 -40.79 91.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 14' ' ' ILE . 7.1 mt -68.99 -50.64 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.518 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 5.2 t0 -56.09 -42.81 77.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.2 p -64.17 -32.74 74.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.799 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.18 28.77 73.94 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.436 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -71.57 -41.87 68.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.534 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 3.5 m-85 -91.47 142.63 27.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.665 0.745 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 154.95 67.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.16 -48.3 3.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.443 HD21 HG13 ' A' ' 17' ' ' ILE . 17.4 tp -63.37 102.05 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.369 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.2 m -141.87 148.45 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.613 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 99.3 m95 -79.4 111.13 15.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -52.18 -29.91 24.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.451 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 39.2 p30 -123.28 177.83 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.47 -30.44 23.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 13.6 pt-20 -60.84 -13.65 16.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.613 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 20.3 mmtm 64.72 33.5 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 m -98.5 -40.43 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -112.57 139.06 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -144.95 174.55 10.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -127.04 137.1 53.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.66 HG22 ' O ' ' A' ' 108' ' ' LYS . 10.2 tt -114.38 130.72 23.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.67 0.748 . . . . 0.0 111.104 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 115.53 4.14 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -110.62 101.97 10.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -125.28 164.86 19.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -146.32 105.01 3.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.71 -63.28 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.31 -35.88 4.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -52.13 170.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.743 0.306 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -111.58 -37.82 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -65.72 -28.0 68.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -54.38 158.48 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -77.11 120.45 22.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -86.78 -47.81 8.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' ARG . 15.4 mm-40 -34.03 -55.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -59.5 -53.45 58.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 6.1 t0 -51.38 -37.92 50.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.39 18.0 22.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.46 -44.3 68.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.069 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.534 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 22.6 tp -87.36 -45.86 10.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -53.43 -50.45 65.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.786 ' HG3' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -48.39 -51.93 24.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.92 -49.64 70.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.567 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 15.6 t-105 -43.48 -58.83 2.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.34 -67.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.786 HD12 ' HG3' ' A' ' 57' ' ' LYS . 9.4 mt -39.42 -38.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -69.64 -56.2 7.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.512 ' HD3' ' CZ3' ' A' ' 59' ' ' TRP . 28.5 mmmt -62.71 -63.17 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.06 -151.55 23.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.531 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -132.63 105.18 7.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -103.0 125.64 49.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.63 102.02 7.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -78.77 116.01 18.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.24 -43.57 1.66 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.2 mt -86.36 -57.92 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 111.125 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.08 133.51 35.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -65.5 120.67 70.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 155.6 65.58 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.534 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 4.1 m-20 -149.27 102.41 3.33 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.548 0.69 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.587 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.2 Cg_exo -47.92 -43.51 29.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.65 2.233 . . . . 0.0 112.358 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.2 Cg_exo -47.97 -49.57 13.6 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.642 2.228 . . . . 0.0 112.3 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 95.4 m -59.04 -46.59 87.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 23.1 m0 -64.38 -58.64 5.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -52.89 -54.37 35.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 84' ' ' CYS . 35.8 m -57.24 -48.34 79.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -56.47 14.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.495 HD13 ' CG ' ' A' ' 59' ' ' TRP . 25.7 tp -66.59 -62.27 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -39.19 -41.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 80' ' ' THR . 3.8 t -69.3 -48.86 60.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.46 -44.57 84.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.7 tp -48.36 -46.64 37.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.38 -44.85 23.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -50.69 -43.69 57.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.9 t -52.58 107.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -68.94 -23.07 64.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.2 p-10 -80.16 12.84 2.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -119.1 138.84 52.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 3.8 tp10 -110.2 150.01 29.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -91.95 110.16 21.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.9 HD12 HG12 ' A' ' 109' ' ' VAL . 34.6 mt -96.27 18.03 14.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.6 p -36.68 -28.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 95' ' ' LEU . 39.2 mt-10 -51.8 -43.92 63.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -91.38 -22.02 20.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.6 p -52.07 140.04 21.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.52 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 9.6 mm-40 -127.21 103.89 7.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.1 mt -111.27 12.34 21.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -117.69 16.75 14.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.687 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -114.57 172.2 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 t -38.87 -59.41 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.562 ' O ' HD11 ' A' ' 103' ' ' ILE . 8.1 t70 -110.56 102.1 50.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.601 0.715 . . . . 0.0 110.913 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 105' ' ' ASP . 53.8 Cg_endo -69.78 149.66 67.07 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.694 2.262 . . . . 0.0 112.329 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -167.7 151.98 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.66 ' O ' HG22 ' A' ' 37' ' ' ILE . 41.0 mttm -111.64 122.77 48.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.9 HG12 HD12 ' A' ' 95' ' ' LEU . 36.3 t -88.98 142.23 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.165 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -142.04 154.69 45.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.964 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.666 ' HB2' HD11 ' A' ' 95' ' ' LEU . 32.3 ttt180 -121.42 124.42 44.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 69.5 mt -74.07 102.21 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 91' ' ' ASP . 3.0 t -78.09 122.47 85.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.711 . . . . 0.0 111.151 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -172.07 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.682 2.254 . . . . 0.0 112.335 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -92.78 -48.84 6.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.5 t -82.35 17.95 1.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -90.26 153.34 22.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.442 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 103.47 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.2 t -48.16 -44.54 32.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.7 p -100.36 162.91 12.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.501 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -119.13 139.55 51.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.912 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.3 p -79.94 112.87 17.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.825 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.16 154.3 7.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 t -93.7 134.31 36.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.838 0.351 . . . . 0.0 110.882 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -53.53 -60.71 2.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.92 110.73 0.23 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -151.39 103.53 3.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tp -81.09 -44.25 18.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ttm105 -41.22 -67.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.468 ' C ' ' CD ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -59.6 -54.1 50.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -39.09 -50.92 1.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.713 ' HG ' HD11 ' A' ' 17' ' ' ILE . 48.3 tp -65.76 -47.37 75.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.515 ' HA ' HD12 ' A' ' 17' ' ' ILE . 88.7 mt -53.64 -39.75 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.02 -41.11 97.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -68.03 -40.07 82.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.713 HD11 ' HG ' ' A' ' 13' ' ' LEU . 11.5 mt -68.71 -44.21 82.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -57.83 -45.6 85.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 p -62.12 -34.95 77.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.84 25.08 71.74 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -68.8 -44.62 73.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -83.23 137.48 42.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.662 0.744 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 146.41 60.71 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.22 -38.73 3.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.1 tp -75.42 101.97 4.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.883 0.373 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.4 m -145.69 151.87 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.59 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 98.3 m95 -78.13 121.34 24.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -67.23 -28.11 67.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.443 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 34.3 p30 -121.61 171.45 8.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -78.57 -33.3 47.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.443 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 13.9 pt-20 -57.36 -12.78 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.59 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 23.3 mmtm 62.29 33.98 16.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.1 t -104.27 -38.03 7.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.6 mt -108.73 140.04 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.406 ' CD1' ' CZ3' ' A' ' 27' ' ' TRP . 9.8 p90 -150.02 174.61 12.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -127.37 134.53 49.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 108' ' ' LYS . 7.0 tt -114.05 135.28 22.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 111.189 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.431 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 54.1 Cg_endo -69.77 116.0 4.35 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.551 ' CE3' ' HD2' ' A' ' 108' ' ' LYS . 2.7 t-105 -112.06 102.0 10.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -136.17 142.46 44.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.428 ' CE1' ' O ' ' A' ' 42' ' ' ALA . 8.4 t60 -84.39 149.1 26.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.428 ' O ' ' CE1' ' A' ' 41' ' ' HIS . . . -87.05 110.34 20.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.04 37.84 0.42 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -140.96 162.59 35.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.731 0.3 . . . . 0.0 110.896 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -92.0 -42.95 9.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.8 1.04 9.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 1.1 p90 -65.22 173.84 2.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -123.04 114.13 19.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.481 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 85.2 mtm-85 -68.21 -51.17 48.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.638 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 75.2 mm-40 -57.39 -47.18 82.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -67.23 -46.21 74.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -58.54 -51.51 69.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.429 ' O ' ' CB ' ' A' ' 57' ' ' LYS . . . -98.16 17.87 17.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 50' ' ' GLU . . . -57.38 -57.25 13.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.9 tp -74.5 -53.67 9.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -48.03 -48.83 32.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.43 ' HD2' ' CZ3' ' A' ' 78' ' ' TRP . 11.4 tptp -46.76 -57.93 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -39.04 -58.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.596 ' CZ2' ' HD2' ' A' ' 63' ' ' LYS . 65.8 t-105 -51.88 -51.62 55.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 57' ' ' LYS . . . -38.85 -32.3 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.085 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 66' ' ' PHE . 9.1 mt -92.25 -32.39 15.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.511 ' CD1' ' CZ3' ' A' ' 59' ' ' TRP . 10.4 t80 -66.53 -64.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.596 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -88.08 -43.41 11.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.89 -32.26 83.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? 58.83 36.07 24.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 68' ' ' GLU . 1.2 t80 -72.67 154.88 40.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.405 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 5.1 ttm-85 -115.58 116.75 28.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 3.2 tp10 -69.39 147.78 50.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.8 -41.72 3.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.2 mt -84.99 -63.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 111.153 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -87.66 147.4 25.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -76.13 122.76 87.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.522 0.677 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 148.55 65.57 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.536 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 22.5 t0 -154.35 102.04 2.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 110.843 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.591 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.5 Cg_exo -47.96 -43.35 30.2 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 64.5 Cg_exo -48.03 -43.32 30.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.357 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.6 m -68.63 -45.26 72.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.086 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.562 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 4.8 m0 -63.52 -58.49 6.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -41.57 -42.61 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 81' ' ' ARG . 90.7 m -76.37 -52.84 9.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.49 ' CZ ' ' HA ' ' A' ' 81' ' ' ARG . 2.2 mmp_? -34.06 -37.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 85' ' ' ALA . 14.7 tp -79.77 -65.27 1.02 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 82' ' ' LEU . 1.6 ptp180 -34.2 -37.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 82' ' ' LEU . 2.8 t -71.89 -49.94 33.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 82' ' ' LEU . . . -56.89 -51.09 70.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.103 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 tp -41.6 -62.46 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -58.13 -42.42 85.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -55.15 -40.09 70.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.2 t -52.05 122.58 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -83.67 -26.64 29.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 113' ' ' VAL . 5.0 m-20 -81.95 16.7 1.78 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -121.52 142.54 49.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.459 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 11.9 tt0 -110.22 147.18 34.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -87.83 108.39 19.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.843 HD12 HG12 ' A' ' 109' ' ' VAL . 22.5 mt -96.16 18.02 14.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 95' ' ' LEU . 12.2 p -37.85 -25.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 95' ' ' LEU . 39.0 mt-10 -54.1 -43.69 70.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -92.17 -22.01 20.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.409 ' HB2' ' HA ' ' A' ' 108' ' ' LYS . 29.5 p -52.0 134.49 32.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.924 ' HB3' HD12 ' A' ' 103' ' ' ILE . 14.4 mm-40 -124.31 103.56 8.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.473 HD21 ' HG3' ' A' ' 108' ' ' LYS . 6.0 mt -115.54 13.39 16.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.71 16.84 14.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.924 HD12 ' HB3' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -115.7 -179.58 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.1 t -41.03 -59.33 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.433 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 74.6 m-20 -114.17 105.55 54.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.7 Cg_endo -69.74 151.63 69.22 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.55 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 49.1 p90 -168.0 156.72 9.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.551 ' HD2' ' CE3' ' A' ' 39' ' ' TRP . 41.6 mttm -117.45 125.17 50.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.843 HG12 HD12 ' A' ' 95' ' ' LEU . 26.5 t -94.05 143.56 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -143.48 158.08 43.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.661 ' HB2' HD11 ' A' ' 95' ' ' LEU . 9.2 ttt180 -124.21 126.29 45.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.454 HD13 HD11 ' A' ' 14' ' ' ILE . 75.8 mt -73.28 102.04 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 91' ' ' ASP . 6.2 t -78.85 125.59 83.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.72 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 179.0 4.05 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -97.6 -50.97 4.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 28.3 p -62.24 143.91 56.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 74.16 151.13 2.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.438 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 134.8 28.84 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.706 2.271 . . . . 0.0 112.365 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.9 t -68.75 151.85 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.2 m -80.09 140.79 36.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -147.64 128.65 14.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.0 p -128.03 158.18 38.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.34 53.03 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.526 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -139.73 154.85 47.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -86.15 -58.43 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.71 -135.2 5.48 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.552 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.455 ' HE2' ' N ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -87.79 -62.55 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.805 0.336 . . . . 0.0 110.932 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.721 HD22 ' HB1' ' A' ' 85' ' ' ALA . 6.0 tp -34.57 -54.83 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 9' ' ' LEU . 2.1 tmt_? -35.17 -66.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' TRP . 4.1 tp60 -72.72 -53.15 12.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 90.9 t90 -36.67 -61.32 0.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.9 tp -53.12 -58.12 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.51 ' HA ' HD12 ' A' ' 17' ' ' ILE . 72.5 mt -45.43 -42.02 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -62.3 -36.43 82.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -68.25 -41.13 81.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.542 HG22 ' CD1' ' A' ' 27' ' ' TRP . 16.5 mt -65.99 -44.72 92.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -58.31 -45.43 88.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.9 p -63.82 -34.23 77.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.6 29.0 73.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.442 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -72.14 -40.1 68.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.709 0.29 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 2.9 m-85 -90.11 144.18 30.87 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.659 0.742 . . . . 0.0 110.945 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 151.99 69.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.57 -41.17 2.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.531 HD11 HG12 ' A' ' 17' ' ' ILE . 15.5 tp -65.95 105.73 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.9 m -155.14 147.29 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.59 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 95.8 m95 -77.91 119.54 21.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' HG3' HG22 ' A' ' 34' ' ' ILE . 17.9 mt-10 -61.32 -30.18 70.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.532 ' ND2' HD12 ' A' ' 34' ' ' ILE . 31.3 p30 -121.33 176.46 5.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' N ' ' CD ' ' A' ' 30' ' ' GLU . 20.5 mp0 -83.34 -32.11 26.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.6 pt-20 -57.91 -11.99 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.59 ' HD3' ' CD1' ' A' ' 27' ' ' TRP . 23.4 mmtm 63.62 34.79 12.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.1 t -106.04 -37.03 6.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.532 HD12 ' ND2' ' A' ' 29' ' ' ASN . 28.4 mt -107.52 137.42 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.482 ' O ' HG13 ' A' ' 109' ' ' VAL . 16.4 p90 -148.83 174.42 12.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -132.07 133.95 44.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.4 tt -114.19 134.17 22.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 106.39 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.563 ' CZ2' ' HE3' ' A' ' 79' ' ' LYS . 7.3 t-105 -87.03 17.06 4.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -53.64 160.4 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.0 p80 -105.76 178.16 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.826 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.94 77.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 60.64 -110.61 3.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.59 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -83.96 103.66 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.746 0.308 . . . . 0.0 110.906 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.507 ' C ' ' CD ' ' A' ' 45' ' ' GLN . 2.9 tm0? -45.88 -50.19 14.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.48 ' HB2' ' CD ' ' A' ' 44' ' ' LYS . 3.2 m-20 -45.26 -31.17 1.43 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -58.81 174.97 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -79.06 109.41 13.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.707 ' H ' ' NE ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -99.49 -26.29 14.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.594 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 7.1 tt0 -66.09 -45.79 79.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -75.23 -52.24 11.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.53 -40.82 88.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 49' ' ' ARG . . . -100.01 17.11 21.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 50' ' ' GLU . . . -63.69 -52.36 60.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.566 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 7.4 tp -54.15 -46.51 72.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -57.77 -60.74 3.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.589 ' HG3' ' CE3' ' A' ' 78' ' ' TRP . 21.4 mtpp -47.3 -47.65 25.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 62' ' ' PHE . . . -48.17 -44.22 32.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.592 ' CZ2' ' HE3' ' A' ' 63' ' ' LYS . 31.7 t-105 -67.99 -53.58 24.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.46 -49.32 61.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.08 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.434 HD21 ' HD2' ' A' ' 66' ' ' PHE . 8.5 mt -72.69 -40.48 66.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 58' ' ' ALA . 5.4 t80 -56.83 -57.8 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.592 ' HE3' ' CZ2' ' A' ' 59' ' ' TRP . 1.5 tppp? -73.18 -66.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.41 -156.17 27.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -139.42 108.2 5.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.434 ' HD2' HD21 ' A' ' 61' ' ' LEU . 3.1 t80 -119.62 139.11 52.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.456 ' HG2' HD12 ' A' ' 70' ' ' ILE . 18.2 mtt180 -89.17 120.22 30.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.488 ' C ' ' CD ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -71.84 -57.91 3.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.33 -66.28 1.66 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.463 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.456 HD12 ' HG2' ' A' ' 67' ' ' ARG . 58.6 mt -41.73 -43.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 111.101 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -109.37 157.85 18.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -85.53 135.19 38.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.529 0.681 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 135.4 30.25 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.661 2.24 . . . . 0.0 112.369 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.54 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 5.7 m-20 -139.05 102.01 7.6 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.599 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 66.9 Cg_exo -48.03 -43.31 30.73 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.0 Cg_exo -48.0 -44.78 26.94 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.727 2.284 . . . . 0.0 112.32 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.8 m -60.99 -48.26 82.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.589 ' CE3' ' HG3' ' A' ' 57' ' ' LYS . 6.2 m0 -66.28 -58.49 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.563 ' HE3' ' CZ2' ' A' ' 39' ' ' TRP . 4.3 tmtm? -38.67 -50.49 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 81' ' ' ARG . 91.3 m -68.49 -55.31 12.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 81' ' ' ARG . 2.5 mmp_? -35.82 -56.11 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' ARG . 67.0 tp -67.69 -56.72 8.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' LEU . 50.5 ttt180 -35.28 -47.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.3 t -55.53 -57.78 10.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.721 ' HB1' HD22 ' A' ' 9' ' ' LEU . . . -47.62 -48.34 28.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.8 tp -47.77 -63.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -58.44 -43.58 88.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -53.12 -40.92 64.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.7 t -52.32 124.05 12.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -90.6 -29.25 17.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.1 m-20 -80.32 14.12 2.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -114.89 145.2 42.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -109.82 150.92 27.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -92.48 109.1 20.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.935 HD12 HG12 ' A' ' 109' ' ' VAL . 20.8 mt -96.14 18.09 14.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 95' ' ' LEU . 11.5 p -35.42 -30.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 95' ' ' LEU . 2.1 mp0 -53.24 -43.84 67.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -86.78 -22.84 25.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.406 ' HB2' ' HA ' ' A' ' 96' ' ' VAL . 3.4 m -52.12 133.84 33.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.431 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 29.1 mm-40 -124.59 104.83 8.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.452 HD23 ' HB2' ' A' ' 106' ' ' PRO . 8.4 mt -106.39 -16.17 14.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.12 12.9 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 104' ' ' SER . 33.7 pt -108.47 160.54 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 103' ' ' ILE . 5.5 t -36.28 -55.13 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -112.73 102.02 53.84 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.673 0.749 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.452 ' HB2' HD23 ' A' ' 101' ' ' LEU . 53.9 Cg_endo -69.77 146.01 58.84 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -158.66 148.19 19.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.424 ' HE3' ' CE2' ' A' ' 39' ' ' TRP . 49.7 mttt -107.41 129.97 54.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.935 HG12 HD12 ' A' ' 95' ' ' LEU . 19.3 t -101.04 143.09 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -143.77 152.34 41.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.496 ' HB2' HD11 ' A' ' 95' ' ' LEU . 8.9 ttt180 -118.17 127.44 53.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 77.4 mt -74.24 102.08 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 91' ' ' ASP . 4.3 t -76.98 122.64 86.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.651 0.739 . . . . 0.0 111.104 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -174.27 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.321 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -76.39 177.46 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.0 p -124.86 145.67 49.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -151.64 164.52 30.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.5 45.68 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.627 2.218 . . . . 0.0 112.38 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.4 p -150.96 176.76 10.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.9 m -44.28 -44.27 7.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -96.93 132.63 42.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.862 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.5 m -150.85 143.82 24.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.16 39.73 2.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.434 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.3 m -70.03 143.13 52.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.897 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -101.6 171.4 7.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.81 48.85 0.53 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -84.79 -43.97 13.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.353 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 tp -42.54 -44.95 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.956 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -43.54 -64.67 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -67.75 -53.88 23.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -37.66 -61.17 0.64 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.587 ' HG ' HD11 ' A' ' 17' ' ' ILE . 27.8 tp -53.06 -58.82 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.539 ' HA ' HD12 ' A' ' 17' ' ' ILE . 72.0 mt -42.69 -40.91 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -65.38 -38.72 90.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -68.51 -40.95 80.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.587 HD11 ' HG ' ' A' ' 13' ' ' LEU . 11.8 mt -65.9 -50.41 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -51.55 -45.43 63.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.0 p -63.03 -36.13 82.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.43 25.06 71.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm -70.66 -39.35 73.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.518 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 4.5 m-85 -86.39 138.46 34.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.676 0.751 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 146.77 61.22 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.32 -37.65 3.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.5 tp -76.21 107.49 8.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 0.0 110.937 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.3 m -153.73 151.94 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.637 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 90.9 m95 -77.45 125.2 28.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -65.81 -26.53 67.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.441 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 28.8 p30 -125.03 174.5 7.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -83.47 -25.81 30.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.6 pt-20 -63.08 -11.59 20.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.637 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 2.9 mmmm 62.45 35.57 14.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -105.45 -38.08 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 mt -111.42 143.63 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -149.31 169.6 20.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.05 132.79 53.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 108' ' ' LYS . 6.9 tt -114.82 134.42 22.44 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.576 0.703 . . . . 0.0 111.11 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.417 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.4 Cg_endo -69.76 112.79 3.17 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.542 ' CD2' ' HD2' ' A' ' 108' ' ' LYS . 3.8 t-105 -104.61 102.02 11.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HG2' ' HG2' ' A' ' 106' ' ' PRO . 27.4 mtpt -137.05 122.83 19.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.565 ' CE1' ' HA3' ' A' ' 43' ' ' GLY . 2.3 p-80 -83.03 170.68 14.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.5 ' O ' ' C ' ' A' ' 43' ' ' GLY . . . -45.04 -42.96 8.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 41' ' ' HIS . . . -29.37 -45.4 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.532 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.438 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -93.86 116.96 29.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.715 0.293 . . . . 0.0 110.95 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -97.97 -47.86 5.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -41.4 -36.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.438 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 0.4 OUTLIER -52.31 176.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' O ' ' HB2' ' A' ' 52' ' ' ASP . 5.1 m120 -82.94 121.81 27.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.425 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 14.2 mtt180 -98.0 -61.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -57.42 -51.75 68.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -60.89 -52.52 64.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 48' ' ' ASN . 32.0 t0 -59.07 -37.68 77.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . -69.68 -35.76 75.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -37.08 -46.68 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.518 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 14.1 tp -64.5 -67.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.899 ' CD1' HD23 ' A' ' 82' ' ' LEU . 61.7 m-85 -47.62 -59.14 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.491 ' HG3' ' CZ2' ' A' ' 78' ' ' TRP . 78.0 tttt -44.79 -50.17 10.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.03 -40.56 45.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.565 ' CH2' ' HD3' ' A' ' 63' ' ' LYS . 76.5 t-105 -59.04 -41.23 87.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.22 -54.03 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.2 mt -60.15 -41.87 93.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 62' ' ' PHE . 3.9 t80 -65.85 -56.95 9.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.565 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 30.0 mmmt -58.91 -65.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.942 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.14 -147.94 18.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.535 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -134.91 110.51 9.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.485 ' CD1' ' C ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -132.35 157.09 45.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.577 ' HD2' HD12 ' A' ' 70' ' ' ILE . 15.9 mmt180 -121.37 135.62 55.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 69' ' ' GLY . 3.9 pt-20 -91.21 -31.49 16.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.461 ' N ' ' HG3' ' A' ' 68' ' ' GLU . . . -83.47 -38.11 11.26 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.463 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.577 HD12 ' HD2' ' A' ' 67' ' ' ARG . 53.1 mt -81.79 -59.99 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 111.119 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.44 169.94 10.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.78 121.04 60.63 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.554 0.692 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 150.06 67.83 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.544 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 8.8 m-20 -148.8 101.93 3.43 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.586 0.707 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.588 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.8 Cg_exo -47.91 -43.38 29.85 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.713 2.276 . . . . 0.0 112.377 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 64.9 Cg_exo -47.93 -22.26 3.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 35.2 m -87.35 -47.03 9.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.537 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 5.7 m0 -64.24 -53.27 51.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.554 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 32.8 mtpt -48.97 -46.36 43.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.1 m -67.62 -51.8 45.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.423 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 19.0 mmt180 -56.69 -20.38 21.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.899 HD23 ' CD1' ' A' ' 56' ' ' PHE . 21.6 tp -95.24 -40.3 9.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.8 ttm105 -69.66 -33.78 73.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 81' ' ' ARG . 12.1 p -58.28 -50.01 75.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.3 -48.54 41.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.6 tp -43.17 -36.14 1.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -83.14 -46.47 12.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -56.8 -30.77 64.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 t -52.02 117.12 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -87.16 -24.34 24.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 113' ' ' VAL . 30.8 m-20 -79.88 12.34 2.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -118.26 143.97 46.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.444 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 4.0 tp10 -110.04 151.15 27.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -92.75 109.96 21.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.899 HD12 HG12 ' A' ' 109' ' ' VAL . 40.9 mt -97.46 17.97 16.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.4 p -34.96 -30.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 95' ' ' LEU . 43.6 mt-10 -49.38 -43.96 44.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -88.79 -25.81 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.411 ' HB2' ' HA ' ' A' ' 108' ' ' LYS . 18.8 p -52.01 130.65 30.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.45 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 17.2 mm-40 -119.07 102.55 8.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.7 mt -102.94 -16.93 15.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -83.83 18.0 2.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.3 pt -114.03 163.57 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.5 m -38.55 -49.9 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.407 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 0.8 OUTLIER -117.84 101.98 51.62 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.611 0.719 . . . . 0.0 110.873 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.48 ' HG2' ' O ' ' A' ' 39' ' ' TRP . 53.7 Cg_endo -69.76 147.58 63.19 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.45 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 47.3 p90 -158.02 144.28 17.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.636 ' O ' HG22 ' A' ' 37' ' ' ILE . 12.4 mttm -106.99 123.7 48.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.917 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.899 HG12 HD12 ' A' ' 95' ' ' LEU . 42.8 t -94.39 138.8 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -138.08 152.88 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.66 ' HB2' HD11 ' A' ' 95' ' ' LEU . 5.1 ttt180 -118.34 127.4 53.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.5 mt -72.63 101.99 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 91' ' ' ASP . 5.9 t -79.48 122.56 84.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 0.0 111.2 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -176.41 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -86.55 177.84 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.5 t -127.12 140.52 52.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.05 162.6 12.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 111.77 2.89 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 84.3 p -89.57 149.94 22.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.2 m -115.85 167.33 11.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.501 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -82.42 -45.16 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.871 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.0 p -137.03 147.53 46.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.56 -140.83 24.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.8 m -153.32 153.49 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 7' ' ' GLY . 37.4 m -135.0 146.1 48.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.92 105.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -148.04 123.55 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.444 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 4.8 tp -77.68 -46.06 23.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' LEU . 30.5 ttt-85 -37.48 -65.39 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' TRP . 22.7 tp60 -69.01 -56.14 8.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.577 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 90.3 t90 -36.61 -61.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.58 ' HG ' HD11 ' A' ' 17' ' ' ILE . 24.7 tp -53.59 -61.17 2.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.758 ' HA ' HD12 ' A' ' 17' ' ' ILE . 58.0 mt -42.77 -41.33 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.16 -40.32 97.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -67.93 -40.41 83.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 14' ' ' ILE . 9.0 mt -64.87 -50.38 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -52.34 -51.04 61.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.6 p -56.47 -43.87 80.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.56 27.93 64.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -71.34 -40.49 70.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -90.57 143.14 28.69 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.675 0.75 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 152.44 69.62 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.99 -40.56 2.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.1 tp -69.96 102.03 1.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.9 m -149.67 148.27 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.629 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 98.7 m95 -77.34 121.54 23.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -64.71 -22.76 67.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.446 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 31.8 p30 -130.4 177.44 7.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -85.5 -23.56 27.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 13.3 pt-20 -68.0 -8.28 36.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.629 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 22.5 mmtm 59.81 32.12 21.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 t -101.15 -39.23 7.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.0 mt -109.57 137.28 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -147.04 173.73 12.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -130.94 132.93 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.453 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 9.4 tt -114.54 135.72 22.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.638 0.732 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.453 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.5 Cg_endo -69.82 110.98 2.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.308 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -96.58 15.35 21.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -72.41 148.36 45.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -148.32 120.19 8.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -103.2 165.55 10.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.88 65.88 0.45 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.425 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.608 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 24.8 mttm -146.48 158.84 43.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.745 0.307 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -97.49 -53.57 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -40.99 -37.61 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -57.17 177.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -92.87 107.41 19.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.466 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -95.02 -31.47 13.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.453 ' N ' ' HG2' ' A' ' 49' ' ' ARG . 26.2 mm-40 -65.8 -40.49 91.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -75.45 -58.65 3.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -50.81 -46.42 59.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.24 17.53 10.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.81 94.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.86 -52.49 63.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -63.39 -43.74 96.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.558 ' HD2' ' CH2' ' A' ' 78' ' ' TRP . 15.1 tptt -50.45 -48.32 56.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.4 89.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.577 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 26.4 t-105 -49.52 -59.35 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.82 -66.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.08 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.0 mt -45.57 -40.78 9.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -64.29 -65.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.549 ' HD3' ' CZ3' ' A' ' 59' ' ' TRP . 31.8 mmmt -49.89 -63.71 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.409 ' C ' ' HD2' ' A' ' 65' ' ' LYS . . . -104.8 -146.28 14.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 64' ' ' GLY . 4.0 mptt -139.02 109.63 6.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 71' ' ' ASP . 0.8 OUTLIER -134.88 160.54 37.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.495 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 7.6 mmp_? -126.97 126.79 43.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -80.42 -38.2 30.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.31 -37.04 54.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.482 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.4 mt -86.46 -52.58 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.34 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.575 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 7.4 t0 -90.78 175.69 6.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -96.74 120.3 62.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.554 0.692 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 125.26 11.91 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.67 2.246 . . . . 0.0 112.294 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.542 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 6.6 m-20 -128.87 102.38 19.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.571 0.701 . . . . 0.0 110.834 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.598 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.9 Cg_exo -48.03 -43.47 30.36 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 63.3 Cg_exo -47.96 -51.57 9.69 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.366 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.7 m -54.04 -47.12 71.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.576 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 9.7 m0 -65.63 -48.37 72.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.99 -54.85 39.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.528 ' HA ' ' CD ' ' A' ' 83' ' ' ARG . 56.9 m -62.62 -42.7 99.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -58.14 -51.91 67.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.47 HD13 ' CG ' ' A' ' 59' ' ' TRP . 25.5 tp -67.07 -67.23 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.528 ' CD ' ' HA ' ' A' ' 80' ' ' THR . 17.6 ptt180 -32.79 -46.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.495 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 3.2 t -60.93 -61.07 2.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -42.23 -55.54 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.2 tp -42.71 -56.59 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -62.87 -41.95 99.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -40.0 67.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -52.24 115.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -77.3 -29.97 53.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 113' ' ' VAL . 7.4 m-20 -78.67 11.02 2.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -115.49 142.06 47.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.482 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 3.3 tp10 -110.06 150.11 29.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -92.38 110.42 21.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.994 HD12 HG12 ' A' ' 109' ' ' VAL . 58.8 mt -96.11 18.03 14.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 95' ' ' LEU . 6.4 p -35.36 -31.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.134 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 95' ' ' LEU . 73.2 mt-10 -52.26 -43.39 64.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -85.81 -26.2 25.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.404 ' HB2' ' HA ' ' A' ' 108' ' ' LYS . 4.8 p -51.99 131.96 31.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.496 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 14.6 mm-40 -117.92 102.11 8.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.486 HD23 ' HB2' ' A' ' 106' ' ' PRO . 7.7 mt -102.91 -17.93 15.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.06 17.92 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 27.4 pt -112.96 166.3 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.3 m -42.86 -46.94 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -120.05 102.0 46.82 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.631 0.729 . . . . 0.0 110.836 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.486 ' HB2' HD23 ' A' ' 101' ' ' LEU . 53.8 Cg_endo -69.71 146.07 59.35 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.496 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 48.9 p90 -156.26 147.95 22.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.404 ' HA ' ' HB2' ' A' ' 99' ' ' SER . 11.6 mttm -107.19 125.76 51.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.994 HG12 HD12 ' A' ' 95' ' ' LEU . 48.2 t -96.58 141.07 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -140.54 152.22 45.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.633 ' HB2' HD11 ' A' ' 95' ' ' LEU . 7.0 ttt180 -119.29 124.99 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 71.8 mt -71.56 102.0 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 91' ' ' ASP . 7.2 t -79.04 122.54 84.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 111.118 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -174.7 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 116' ' ' SER . 9.2 pt-20 -62.38 -41.82 98.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.464 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 55.8 m -136.96 158.33 44.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -159.33 171.67 35.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 6.5 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.676 2.251 . . . . 0.0 112.286 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 87.9 p -101.46 113.99 27.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.9 m -151.28 159.45 44.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.486 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 1' ' ' GLY . 27.4 t -37.71 -51.36 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 m -91.52 118.85 30.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.36 149.38 18.23 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -60.91 118.26 6.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.38 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m -56.36 165.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.74 59.15 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.443 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -117.61 121.33 40.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.407 HD22 ' HB1' ' A' ' 85' ' ' ALA . 16.8 tp -83.16 -44.39 15.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -45.05 -68.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' TRP . 22.1 tp60 -60.86 -58.99 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' GLN . 81.3 t90 -36.7 -58.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.2 tp -57.36 -59.6 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.777 ' HA ' HD12 ' A' ' 17' ' ' ILE . 46.0 mt -42.88 -41.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.14 -37.56 85.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -68.25 -38.15 81.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 14' ' ' ILE . 7.5 mt -69.15 -49.98 57.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -51.95 -47.57 64.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 p -63.32 -34.97 78.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.69 28.74 73.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -72.49 -38.06 68.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.534 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 5.5 m-85 -88.82 141.17 29.63 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.662 0.744 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 145.53 57.39 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.82 -42.34 3.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.474 HD11 HG12 ' A' ' 17' ' ' ILE . 15.5 tp -66.89 102.34 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.6 m -145.27 146.37 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.592 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 99.3 m95 -78.33 111.96 14.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -58.23 -28.59 65.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.64 ' ND2' HD12 ' A' ' 34' ' ' ILE . 34.4 p30 -122.76 163.02 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -72.09 -32.7 67.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 12.6 pt-20 -56.47 -13.3 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.592 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 21.3 mmtm 62.71 32.69 16.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.6 p -105.21 -34.12 8.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.64 HD12 ' ND2' ' A' ' 29' ' ' ASN . 20.4 mt -111.47 133.87 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -143.7 170.98 14.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -122.97 135.65 54.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.531 HG22 ' O ' ' A' ' 108' ' ' LYS . 4.6 tt -114.36 132.08 22.97 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.637 0.732 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 108.63 2.12 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.643 2.229 . . . . 0.0 112.393 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.461 ' CE2' ' HE3' ' A' ' 108' ' ' LYS . 3.4 t-105 -96.23 13.5 27.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -73.55 156.58 37.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.49 178.02 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.423 ' HB1' ' CZ ' ' A' ' 47' ' ' TYR . . . -59.15 -66.13 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.35 -74.16 0.41 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.474 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -65.83 163.59 16.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.769 0.319 . . . . 0.0 110.895 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -110.78 -37.98 5.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -59.41 -29.07 67.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.474 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 4.9 p90 -51.99 178.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.0 116.49 20.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 51' ' ' GLU . 17.6 mtm180 -53.89 -59.21 4.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 49' ' ' ARG . 7.4 pt-20 -34.74 -34.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 49' ' ' ARG . 4.2 tp10 -74.79 -68.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -46.0 -40.02 9.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . -85.34 -20.49 29.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.05 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -32.39 -40.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.534 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 25.8 tp -78.1 -57.76 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.729 ' CD1' HD23 ' A' ' 82' ' ' LEU . 87.8 m-85 -53.93 -56.71 15.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.525 ' HG3' ' CE2' ' A' ' 78' ' ' TRP . 46.1 tttm -45.08 -59.29 2.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -40.75 -41.11 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.065 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.52 ' CH2' ' HD3' ' A' ' 63' ' ' LYS . 29.9 t-105 -52.16 -48.75 64.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.49 -59.71 4.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.479 HD11 ' NZ ' ' A' ' 57' ' ' LYS . 7.5 mt -48.25 -38.83 19.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -73.73 -57.3 4.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.52 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 30.4 mmmt -57.02 -61.97 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -106.01 -155.11 21.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.464 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 65' ' ' LYS . 3.0 mppt? -127.83 103.14 7.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -130.96 150.82 51.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.429 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 3.8 mmm-85 -117.62 131.13 56.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.52 -34.91 69.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 70' ' ' ILE . . . -94.91 -76.3 1.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.529 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.523 ' H ' HD12 ' A' ' 70' ' ' ILE . 4.3 mp -34.99 -50.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.365 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.57 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 1.8 t70 -94.87 174.8 6.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -100.98 121.14 53.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.563 0.696 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 113.52 3.39 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.537 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 22.4 t70 -120.35 102.06 46.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.591 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.6 Cg_exo -47.98 -43.45 30.12 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.9 Cg_exo -47.98 -60.47 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.258 . . . . 0.0 112.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.3 m -50.54 -44.46 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.525 ' CE2' ' HG3' ' A' ' 57' ' ' LYS . 28.4 m0 -63.28 -41.54 99.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.57 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 32.7 mtpt -73.65 -67.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 81' ' ' ARG . 36.7 m -39.04 -68.36 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 80' ' ' THR . 5.1 mpt_? -36.2 -68.34 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.729 HD23 ' CD1' ' A' ' 56' ' ' PHE . 59.8 tp -49.59 -41.5 42.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.45 ' HG2' ' CH2' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -58.44 -41.32 84.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.61 -42.19 74.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.407 ' HB1' HD22 ' A' ' 9' ' ' LEU . . . -56.97 -50.19 73.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.9 tp -40.7 -56.58 2.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -61.48 -43.79 98.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 35.8 mttm -50.51 -41.05 53.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.0 m -52.15 116.02 2.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -86.69 -27.39 23.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 113' ' ' VAL . 0.8 OUTLIER -81.75 15.48 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -113.48 145.0 41.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.43 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 7.3 tp10 -110.2 151.05 27.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.473 ' HG2' HG12 ' A' ' 96' ' ' VAL . 8.0 tt0 -93.08 109.78 21.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.843 HD12 HG12 ' A' ' 109' ' ' VAL . 12.6 mt -97.65 18.03 16.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.473 HG12 ' HG2' ' A' ' 94' ' ' GLU . 12.5 p -37.88 -26.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 95' ' ' LEU . 30.8 mt-10 -57.36 -42.6 82.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -90.61 -23.81 20.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.472 ' HA ' HG23 ' A' ' 109' ' ' VAL . 10.5 p -52.0 139.52 22.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.587 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 13.1 mm-40 -125.2 102.87 7.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.4 mt -114.03 14.59 18.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -117.92 17.91 14.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.682 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -117.32 177.56 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.1 m -42.4 -60.31 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.564 ' O ' HD11 ' A' ' 103' ' ' ILE . 6.5 t0 -110.61 102.09 50.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.635 0.731 . . . . 0.0 110.835 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.5 Cg_endo -69.75 151.54 69.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 31.8 p90 -164.73 152.23 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.531 ' O ' HG22 ' A' ' 37' ' ' ILE . 41.6 mttt -110.36 123.0 49.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.843 HG12 HD12 ' A' ' 95' ' ' LEU . 45.7 t -91.65 140.9 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -144.16 154.04 42.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.608 ' HB2' HD11 ' A' ' 95' ' ' LEU . 12.4 ttt180 -120.73 127.01 51.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.2 mt -74.5 103.02 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 91' ' ' ASP . 5.4 t -78.43 123.49 85.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.642 0.734 . . . . 0.0 111.063 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -174.45 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.31 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 116' ' ' SER . 8.9 pt-20 -87.06 -42.83 12.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 35.7 t -130.98 117.4 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -112.9 -172.9 18.7 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -50.43 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.747 2.298 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.6 t -67.73 -52.5 36.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.5 t -148.02 156.56 42.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.545 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 64.55 42.03 5.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -39.65 -58.64 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.42 132.28 11.03 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.7 m -146.18 169.17 19.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.341 . . . . 0.0 110.871 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 t -148.17 114.1 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.69 63.42 1.91 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.461 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -72.58 -42.87 64.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.404 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 6.3 tp -59.9 -47.93 83.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -47.03 -64.41 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' TRP . 1.5 tp60 -64.42 -58.67 5.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 85.1 t90 -38.01 -56.16 1.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.539 ' HG ' HD11 ' A' ' 17' ' ' ILE . 45.9 tp -59.4 -54.46 46.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.484 ' HA ' HD12 ' A' ' 17' ' ' ILE . 65.3 mt -47.98 -39.04 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -65.7 -39.48 91.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -65.79 -40.81 92.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.706 HG22 ' CD1' ' A' ' 27' ' ' TRP . 9.1 mt -69.4 -48.7 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.551 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 8.2 t70 -50.5 -47.34 57.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 p -64.99 -33.55 76.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.5 29.0 73.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -70.41 -38.6 74.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.547 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 2.6 m-85 -87.73 140.94 31.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.663 0.744 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 148.05 63.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.703 2.269 . . . . 0.0 112.311 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.44 -45.43 3.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.463 HD21 HG13 ' A' ' 17' ' ' ILE . 18.3 tp -67.77 101.99 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.934 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.4 m -141.49 146.29 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.706 ' CD1' HG22 ' A' ' 17' ' ' ILE . 99.4 m95 -77.15 116.34 17.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -58.73 -23.06 59.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.415 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 29.8 p30 -131.32 177.68 7.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -85.8 -25.79 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.415 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 10.0 pt-20 -66.34 -6.52 14.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.624 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 22.5 mmtm 58.6 32.1 21.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.6 t -99.79 -40.09 7.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.6 mt -109.35 137.18 42.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -147.03 174.76 11.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -128.66 136.51 50.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.566 HG22 ' O ' ' A' ' 108' ' ' LYS . 12.0 tt -114.11 130.88 23.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.647 0.737 . . . . 0.0 111.165 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.435 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.2 Cg_endo -69.77 113.25 3.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.306 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.593 ' CE3' ' HD2' ' A' ' 108' ' ' LYS . 6.7 t-105 -94.77 18.04 12.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.561 ' CD ' ' HD2' ' A' ' 106' ' ' PRO . 13.8 mmmt -52.1 140.08 21.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -95.98 175.26 6.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.46 102.14 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.79 41.37 1.53 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.422 ' CG ' ' HB3' ' A' ' 47' ' ' TYR . 30.6 tttp -159.4 159.22 33.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -117.98 -30.83 5.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -95.75 13.74 25.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.463 ' CE2' ' HG2' ' A' ' 49' ' ' ARG . 16.0 p90 -82.29 169.21 16.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -106.36 116.14 31.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 44.1 mtm-85 -68.89 -42.87 76.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -54.69 -46.73 74.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -73.91 -47.31 38.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.02 -40.78 70.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.32 17.39 24.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.78 -42.69 17.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.547 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 10.5 tp -67.92 -59.5 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -50.69 -57.67 7.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -40.83 -55.59 2.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.69 -44.28 47.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.533 ' CD1' HD13 ' A' ' 82' ' ' LEU . 31.4 t-105 -52.42 -57.15 10.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.72 -64.71 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.4 mt -48.03 -35.71 11.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 62' ' ' PHE . 5.6 t80 -70.04 -55.59 9.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -60.39 -63.86 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.89 -159.66 22.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.436 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -125.21 102.04 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -107.52 116.36 31.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.506 ' HD2' HD12 ' A' ' 70' ' ' ILE . 82.6 mmt-85 -73.47 108.97 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -62.51 -40.77 97.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.72 -57.54 2.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.506 HD12 ' HD2' ' A' ' 67' ' ' ARG . 64.4 mt -57.83 -56.82 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 111.135 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -89.7 159.36 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -94.67 138.05 22.35 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 146.65 61.07 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.727 2.285 . . . . 0.0 112.387 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.548 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 2.8 p30 -149.81 103.89 3.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.617 0.722 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.589 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.5 Cg_exo -48.03 -43.21 30.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.709 2.273 . . . . 0.0 112.319 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.7 Cg_exo -48.01 -48.81 15.34 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.0 m -63.14 -44.52 95.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.407 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 36.1 m0 -60.75 -48.78 80.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -72.03 -65.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.6 m -36.34 -65.31 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.464 ' N ' ' HD2' ' A' ' 81' ' ' ARG . 0.4 OUTLIER -42.42 -67.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.533 HD13 ' CD1' ' A' ' 59' ' ' TRP . 27.7 tp -46.99 -59.8 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -39.22 -50.09 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.84 -46.73 87.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.91 -50.67 71.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.8 tp -44.22 -49.9 9.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -69.68 -42.93 73.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -53.52 -40.08 65.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.1 t -52.1 105.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -72.19 -27.42 62.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.1 m-20 -80.3 13.34 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -114.09 143.72 44.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.447 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 1.2 tp10 -109.93 147.16 33.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -89.22 110.4 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.785 HD12 HG12 ' A' ' 109' ' ' VAL . 10.2 mt -98.88 17.96 18.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.442 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 14.8 p -35.08 -28.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 95' ' ' LEU . 35.8 mt-10 -52.04 -41.05 61.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 4.3 mtp85 -89.79 -24.75 21.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.446 ' HB2' ' HA ' ' A' ' 108' ' ' LYS . 8.0 p -52.01 124.36 12.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 13.1 mm-40 -116.76 101.98 9.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.457 HD23 ' HB2' ' A' ' 106' ' ' PRO . 6.8 mt -100.8 -17.11 17.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.33 18.02 1.92 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 21.4 pt -113.84 164.04 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.4 m -41.8 -47.22 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 83.8 m-20 -118.83 102.07 49.78 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.621 0.724 . . . . 0.0 110.816 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.561 ' HD2' ' CD ' ' A' ' 40' ' ' LYS . 53.1 Cg_endo -69.86 142.93 48.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.295 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.425 ' HA ' ' O ' ' A' ' 37' ' ' ILE . 38.6 p90 -154.72 146.24 23.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.593 ' HD2' ' CE3' ' A' ' 39' ' ' TRP . 11.9 mttm -108.07 126.75 53.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.785 HG12 HD12 ' A' ' 95' ' ' LEU . 96.1 t -94.92 143.01 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -144.72 152.35 40.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.589 ' HB2' HD11 ' A' ' 95' ' ' LEU . 8.5 ttt180 -119.63 126.59 51.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.4 HD13 HD11 ' A' ' 14' ' ' ILE . 73.1 mt -71.72 102.0 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 91' ' ' ASP . 4.7 t -77.39 124.9 86.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 111.142 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -174.5 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -96.07 170.32 9.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.3 t -60.47 148.75 36.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.67 144.63 45.97 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -30.49 22.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.651 2.234 . . . . 0.0 112.347 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.8 t -92.92 174.56 7.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.0 t -85.31 -55.8 3.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 3' ' ' SER . 58.2 m -90.5 -60.79 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.369 . . . . 0.0 110.816 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 2' ' ' SER . 21.5 t -36.99 -52.22 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.3 -177.57 43.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.8 p -72.03 138.44 47.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -115.63 115.29 26.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.62 79.9 0.93 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 12' ' ' TRP . 25.5 mtpp -118.57 119.29 34.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 4.5 tp -91.75 -47.9 7.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -44.39 -67.23 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' TRP . 5.2 tp60 -61.51 -60.37 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.531 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 85.5 t90 -36.62 -58.19 0.74 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.6 tp -56.71 -57.29 13.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.738 ' HA ' HD12 ' A' ' 17' ' ' ILE . 38.7 mt -46.64 -42.11 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.56 -37.51 81.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.423 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 46.2 mm-40 -66.73 -39.91 88.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.738 HD12 ' HA ' ' A' ' 14' ' ' ILE . 8.2 mt -68.02 -47.22 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -55.33 -45.32 76.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.2 p -66.09 -34.52 78.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.815 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.12 29.4 74.84 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.543 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -73.39 -38.67 65.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 16' ' ' GLN . 1.6 m-85 -89.88 141.83 28.51 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.645 0.736 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 149.29 66.92 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.11 -36.76 2.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.471 HD11 HG12 ' A' ' 17' ' ' ILE . 17.0 tp -73.4 103.29 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.4 m -153.0 146.57 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.651 ' CD1' HG22 ' A' ' 17' ' ' ILE . 81.6 m95 -77.4 122.33 25.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -67.33 -24.04 65.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.479 ' ND2' HD12 ' A' ' 34' ' ' ILE . 32.2 p30 -124.93 170.36 11.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -79.54 -32.34 42.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 8.5 pt-20 -55.57 -13.77 1.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.609 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 2.4 mmmp? 63.12 37.38 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 t -110.04 -37.85 5.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.479 HD12 ' ND2' ' A' ' 29' ' ' ASN . 40.7 mt -106.79 138.78 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -148.54 173.68 12.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -127.49 134.72 49.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.428 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 13.8 tt -114.05 134.9 22.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 111.109 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.8 Cg_endo -69.74 113.49 3.39 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.731 2.288 . . . . 0.0 112.37 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -109.25 102.03 10.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -140.33 141.35 35.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -108.65 176.52 5.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 43' ' ' GLY . . . -40.03 -35.96 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -34.26 -44.19 0.38 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.54 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -59.01 159.54 7.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.744 0.307 . . . . 0.0 110.876 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -145.12 151.29 38.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 52.27 32.01 10.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.54 ' CD1' ' HB3' ' A' ' 44' ' ' LYS . 18.3 p90 -108.72 177.86 4.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -77.03 109.29 10.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.1 ttp85 -91.08 -48.56 6.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.25 -46.12 68.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -55.27 -50.61 69.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -39.78 95.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . -67.7 -36.8 81.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -33.96 -39.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.1 tp -73.57 -67.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -47.25 -52.89 14.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.58 ' HE3' ' CE1' ' A' ' 66' ' ' PHE . 17.7 tptm -47.6 -57.41 5.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.98 -42.54 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.571 ' CH2' ' HD3' ' A' ' 63' ' ' LYS . 34.0 t-105 -56.96 -50.17 73.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.68 -62.43 1.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.459 HD21 ' HD1' ' A' ' 66' ' ' PHE . 9.3 mt -51.44 -40.83 60.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.424 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 3.5 t80 -65.29 -52.04 56.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.571 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 25.2 mmmt -64.73 -65.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.98 -152.64 21.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -130.85 103.22 6.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.58 ' CE1' ' HE3' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -114.34 134.3 55.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.522 ' CB ' ' HB ' ' A' ' 70' ' ' ILE . 13.2 mmm180 -89.69 116.57 27.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.461 ' HA ' ' CE1' ' A' ' 66' ' ' PHE . 10.5 tt0 -58.54 -38.63 78.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.99 -63.86 0.99 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.522 ' HB ' ' CB ' ' A' ' 67' ' ' ARG . 83.5 mt -48.11 -45.39 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -100.72 141.28 33.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 129.6 82.51 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.596 0.712 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 110.97 2.68 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.547 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 1.7 p30 -118.93 101.95 49.69 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.53 0.681 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.597 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.4 Cg_exo -47.95 -43.31 30.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.1 Cg_exo -48.01 -40.44 33.35 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.7 m -67.4 -48.98 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.561 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 7.4 m0 -61.41 -45.34 94.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -63.76 -47.64 80.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.8 m -61.31 -46.29 90.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -51.86 -58.66 5.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.9 tp -65.97 -53.6 36.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -44.67 -51.49 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.98 -53.99 22.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.495 ' O ' ' HG3' ' A' ' 88' ' ' LYS . . . -59.11 -47.65 84.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.7 tp -41.88 -21.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ALA . 5.8 t-20 -96.84 -54.54 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -49.7 -30.87 9.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.9 p -55.91 102.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -76.92 -26.58 54.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 113' ' ' VAL . 2.3 p-10 -78.2 10.78 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -116.6 143.34 45.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.433 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.8 tt0 -109.9 144.94 37.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -85.13 108.08 17.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.74 HD11 ' HB2' ' A' ' 111' ' ' ARG . 13.6 mt -96.75 18.02 15.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 95' ' ' LEU . 2.6 p -35.96 -34.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.194 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 95' ' ' LEU . 81.3 mt-10 -46.04 -44.13 15.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -88.24 -25.21 22.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.8 p -52.04 139.9 21.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.554 ' HB3' HD12 ' A' ' 103' ' ' ILE . 14.6 mm-40 -125.6 106.04 9.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.2 mt -113.75 13.16 18.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -117.98 18.0 14.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.728 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -115.84 177.61 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 t -43.05 -59.47 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.468 ' O ' HD11 ' A' ' 103' ' ' ILE . 64.6 m-20 -112.62 105.37 56.0 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.556 0.693 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.2 Cg_endo -69.77 151.79 69.12 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.341 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.457 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 49.0 p90 -165.77 152.1 9.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -112.01 124.67 52.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.613 HG12 HD12 ' A' ' 95' ' ' LEU . 60.0 t -92.94 144.94 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -145.13 158.41 43.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.74 ' HB2' HD11 ' A' ' 95' ' ' LEU . 6.2 ttt180 -122.96 126.5 47.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 71.2 mt -72.87 102.01 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 91' ' ' ASP . 7.5 t -81.01 124.05 81.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.681 0.753 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.96 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.664 2.243 . . . . 0.0 112.372 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 116' ' ' SER . 13.1 pt-20 -66.71 -44.36 81.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.48 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 53.3 p -113.83 155.74 25.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -123.27 160.23 17.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 4.32 2.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.237 . . . . 0.0 112.377 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.1 m -111.2 153.61 25.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 74.5 m -75.63 -53.9 7.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.416 ' CB ' ' HB2' ' A' ' 5' ' ' SER . 5.7 m -125.79 162.9 24.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 m -54.94 -62.15 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.819 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.43 47.35 0.82 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.416 ' HB2' ' CB ' ' A' ' 2' ' ' SER . 4.9 t -83.65 112.34 19.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.856 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 m -74.05 115.85 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' C ' ' HG3' ' A' ' 8' ' ' LYS . . . -68.25 146.65 46.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.458 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.424 ' HG3' ' C ' ' A' ' 7' ' ' GLY . 20.8 mtmt -147.91 133.74 19.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.797 0.332 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tp -91.18 -45.64 8.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -44.77 -64.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -64.18 -53.67 45.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.57 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 76.4 t90 -40.73 -59.59 1.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.473 HD23 ' HE2' ' A' ' 92' ' ' PHE . 50.6 tp -57.32 -59.65 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.884 ' HA ' HD12 ' A' ' 17' ' ' ILE . 49.8 mt -44.03 -39.94 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -61.46 -40.67 95.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -64.27 -38.08 89.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.884 HD12 ' HA ' ' A' ' 14' ' ' ILE . 8.9 mt -67.01 -49.87 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -51.83 -55.83 17.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.2 p -54.03 -33.32 56.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.29 27.19 68.84 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -69.55 -38.84 77.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.499 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 3.2 m-85 -87.98 141.21 31.23 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.703 0.763 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.36 56.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.38 -43.67 3.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.524 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.81 102.43 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.3 m -150.44 146.38 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 93.0 m95 -77.15 109.75 11.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -55.35 -30.05 59.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.479 ' CG ' ' CG ' ' A' ' 31' ' ' GLU . 42.3 p30 -123.08 153.08 40.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.4 -31.77 73.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.479 ' CG ' ' CG ' ' A' ' 29' ' ' ASN . 12.7 pt-20 -54.52 -14.12 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.597 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 0.8 OUTLIER 62.74 36.11 13.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.9 m -108.31 -37.7 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.445 HD12 ' ND2' ' A' ' 29' ' ' ASN . 25.9 mt -110.74 139.89 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -145.19 167.87 21.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' HB2' ' CD2' ' A' ' 107' ' ' TYR . 1.4 ptt180 -121.48 139.57 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.71 HG22 ' O ' ' A' ' 108' ' ' LYS . 7.8 tt -116.87 134.63 22.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.651 0.739 . . . . 0.0 111.08 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.446 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.1 Cg_endo -69.8 111.78 2.91 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.732 2.288 . . . . 0.0 112.296 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.406 ' O ' ' HG2' ' A' ' 106' ' ' PRO . 2.4 t-105 -113.2 102.0 9.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HG2' ' HG2' ' A' ' 106' ' ' PRO . 54.2 mttt -121.96 158.89 28.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 42' ' ' ALA . 37.2 t-80 -115.35 156.13 26.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 43' ' ' GLY . . . -36.43 -46.32 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -33.87 -59.49 0.57 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -62.9 140.1 58.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.741 0.305 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -112.74 -37.45 4.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -44.88 -33.36 1.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -52.48 174.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -126.57 124.92 41.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 53' ' ' ALA . 32.5 mtm180 -68.79 -46.59 68.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.8 -47.24 81.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -61.25 -61.46 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -38.67 73.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 49' ' ' ARG . . . -69.73 -35.95 75.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.41 -54.14 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.499 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 49.6 tp -57.94 -55.88 29.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.574 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 67.8 m-85 -57.87 -66.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.513 ' HD2' ' CZ3' ' A' ' 78' ' ' TRP . 54.2 tttt -35.32 -46.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.4 -48.0 77.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.57 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 57.8 t-105 -52.87 -47.5 67.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.544 ' CB ' ' CD1' ' A' ' 78' ' ' TRP . . . -55.8 -51.53 67.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 66' ' ' PHE . 7.2 mt -61.12 -57.97 10.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 61' ' ' LEU . 75.9 t80 -34.32 -64.22 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.16 -54.9 37.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.417 ' C ' ' HE3' ' A' ' 65' ' ' LYS . . . 132.73 36.0 0.3 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.417 ' HE3' ' C ' ' A' ' 64' ' ' GLY . 0.4 OUTLIER -94.67 -35.97 11.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.915 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.56 ' CZ ' ' HA ' ' A' ' 68' ' ' GLU . 10.1 t80 -107.42 138.78 43.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.765 ' HG2' HD12 ' A' ' 70' ' ' ILE . 0.6 OUTLIER -118.02 15.37 14.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.861 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 18.0 tt0 52.8 44.22 30.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 162.85 -67.2 0.23 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.765 HD12 ' HG2' ' A' ' 67' ' ' ARG . 95.1 mt -48.6 -48.53 14.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 111.139 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -93.47 170.89 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -98.93 127.47 35.08 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 103.25 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.352 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.547 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 68.8 m-20 -128.11 101.97 21.99 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.599 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 66.0 Cg_exo -48.02 -43.26 30.81 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.323 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.4 Cg_exo -48.02 -52.31 8.46 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.365 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.0 m -66.33 -44.96 81.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.544 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 22.9 m0 -54.74 -44.82 73.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.574 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 62.2 tttt -68.86 -58.64 3.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.3 m -44.83 -43.09 8.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -54.53 -57.1 12.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.518 HD23 ' CE1' ' A' ' 56' ' ' PHE . 16.7 tp -63.56 -51.88 63.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -45.49 -44.2 12.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.32 -48.88 47.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 86' ' ' LEU . . . -58.08 -63.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 85' ' ' ALA . 27.4 tp -35.68 -49.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.51 -44.12 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -41.23 67.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 t -56.21 102.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -64.84 -38.17 90.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -57.5 -12.6 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.473 ' HE2' HD23 ' A' ' 13' ' ' LEU . 3.2 m-85 -108.98 133.51 52.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.492 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.5 tt0 -109.83 153.8 23.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 9.5 tt0 -111.35 116.05 30.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 111' ' ' ARG . 17.6 mt -92.74 101.96 14.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.439 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.1 OUTLIER -79.16 -36.81 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -48.59 -30.77 5.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -100.93 -15.3 17.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.439 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 42.8 p -61.09 127.49 31.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.548 ' HB3' HD12 ' A' ' 103' ' ' ILE . 27.3 mm-40 -121.72 102.05 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.509 HD21 ' HG3' ' A' ' 108' ' ' LYS . 8.8 mt -116.79 14.0 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -117.5 18.03 14.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.79 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -117.62 171.02 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 103' ' ' ILE . 2.0 m -35.63 -56.16 0.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.547 ' O ' HD11 ' A' ' 103' ' ' ILE . 0.9 OUTLIER -115.82 105.58 51.26 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 110.865 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.7 Cg_endo -69.78 139.81 41.07 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.625 2.217 . . . . 0.0 112.352 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.506 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 49.0 p90 -157.9 146.0 18.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.71 ' O ' HG22 ' A' ' 37' ' ' ILE . 18.7 mttm -107.05 129.93 54.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.7 t -88.93 147.1 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 94' ' ' GLU . 10.8 m-85 -134.36 170.53 15.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.769 ' HB2' HD11 ' A' ' 95' ' ' LEU . 7.6 ttt85 -139.68 125.17 19.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 93.3 mt -74.25 102.38 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.492 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 3.3 t -72.68 124.74 91.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.653 0.74 . . . . 0.0 111.109 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 178.05 4.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.685 2.257 . . . . 0.0 112.343 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -97.54 155.98 16.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.4 m -59.75 151.74 24.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -140.57 159.18 26.3 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 147.95 63.67 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.379 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.1 t -91.03 165.37 13.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 91.2 p -87.95 151.57 22.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.432 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t -125.24 132.25 52.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 0.0 110.89 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 p -149.26 139.7 22.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.89 -171.96 18.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -52.44 -46.54 66.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.904 0.383 . . . . 0.0 110.85 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -63.7 137.63 58.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.808 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.13 134.59 7.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -87.28 101.99 14.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.353 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.7 tp -75.17 -47.5 28.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -39.49 -67.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.478 ' C ' ' CD ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -63.95 -55.65 20.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' GLN . 90.7 t90 -36.7 -59.63 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.42 ' HG ' HD11 ' A' ' 17' ' ' ILE . 49.3 tp -59.79 -53.63 55.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.6 mt -45.41 -44.49 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.38 -36.86 81.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -66.57 -43.37 85.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.498 HG22 ' CD1' ' A' ' 27' ' ' TRP . 8.3 mt -69.65 -45.12 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.517 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 14.5 t0 -58.97 -47.08 86.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 p -59.16 -33.47 70.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.59 27.78 72.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -72.6 -38.55 67.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.535 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 3.5 m-85 -90.16 145.06 32.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.667 0.746 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 154.4 67.82 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.327 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.68 -48.64 2.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.404 ' HG ' HG23 ' A' ' 17' ' ' ILE . 12.0 tp -61.24 102.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.7 m -149.57 146.14 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.649 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 90.6 m95 -77.29 114.16 15.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -55.06 -29.61 57.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.508 ' ND2' ' CG ' ' A' ' 31' ' ' GLU . 44.3 p30 -123.27 170.8 9.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -79.76 -35.68 38.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.508 ' CG ' ' ND2' ' A' ' 29' ' ' ASN . 8.0 pt-20 -53.73 -14.63 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.649 ' HD3' ' CD1' ' A' ' 27' ' ' TRP . 6.4 mmtp 64.71 33.17 10.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.429 ' HB2' HD12 ' A' ' 34' ' ' ILE . 7.2 m -98.04 -41.48 7.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.429 HD12 ' HB2' ' A' ' 33' ' ' SER . 3.7 mp -112.47 141.79 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.406 ' N ' ' CD1' ' A' ' 35' ' ' PHE . 4.9 p90 -144.64 175.18 10.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.552 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 3.2 ptt180 -129.39 134.03 47.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 108' ' ' LYS . 17.1 tt -114.02 131.45 23.16 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.644 0.735 . . . . 0.0 111.078 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.415 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.4 Cg_endo -69.74 116.06 4.38 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -96.18 17.55 15.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -57.04 132.04 51.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -87.36 168.69 12.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -106.2 121.6 44.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.62 -41.52 0.86 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -86.94 159.72 18.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.711 0.291 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -113.14 -38.0 4.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -59.8 -31.73 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -63.79 174.27 1.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -91.63 103.13 15.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.458 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -88.03 -32.67 18.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' N ' ' HG2' ' A' ' 49' ' ' ARG . 21.5 tt0 -54.97 -31.55 60.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -78.77 -56.26 4.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.466 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -53.25 -34.76 58.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.58 17.89 23.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.15 -42.74 73.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.535 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 11.6 tp -63.44 -51.57 65.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.418 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 58.1 m-85 -51.88 -45.22 64.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 58' ' ' ALA . 39.7 mtpt -57.56 -55.64 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' LYS . . . -37.14 -43.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.536 ' CH2' ' HD3' ' A' ' 63' ' ' LYS . 22.4 t-105 -61.65 -55.89 25.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.49 ' HB2' ' HD3' ' A' ' 81' ' ' ARG . . . -56.43 -43.61 79.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mt -65.01 -46.76 80.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -62.2 -55.66 26.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.536 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 12.2 mmmm -60.82 -63.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.56 -146.41 19.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -140.42 109.0 5.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.782 0.325 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -110.9 105.35 14.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.929 ' HG2' HD12 ' A' ' 70' ' ' ILE . 5.0 tpt180 -63.83 105.26 0.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.426 ' C ' ' CD ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -64.66 119.39 10.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.95 -53.7 0.74 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.929 HD12 ' HG2' ' A' ' 67' ' ' ARG . 70.1 mt -73.76 -49.91 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 111.082 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.26 134.71 36.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.15 119.91 74.87 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 145.04 55.83 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.538 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 18.9 t70 -153.8 101.97 2.51 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.567 0.698 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.589 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.0 Cg_exo -47.97 -43.62 29.64 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.688 2.258 . . . . 0.0 112.359 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.2 Cg_exo -47.97 -38.22 31.01 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.649 2.233 . . . . 0.0 112.356 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.5 m -72.41 -50.65 24.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.554 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 10.1 m0 -58.54 -52.27 66.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 29.0 mttt -52.04 -58.95 5.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.5 m -54.06 -49.06 69.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.49 ' HD3' ' HB2' ' A' ' 60' ' ' ALA . 5.9 mtp180 -43.59 -60.55 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.5 tp -65.06 -40.36 94.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -52.72 -42.64 65.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.2 t -68.22 -46.04 71.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.61 -54.74 43.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.3 tp -44.09 -54.31 5.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -61.12 -45.33 95.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -56.0 -42.84 77.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.7 t -53.18 107.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -77.64 -29.51 51.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.58 7.64 4.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -119.86 135.77 54.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.453 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.4 tt0 -111.46 141.07 45.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.472 ' HA ' ' CD2' ' A' ' 110' ' ' TYR . 1.7 tt0 -92.05 113.43 25.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.97 HD11 ' HB2' ' A' ' 111' ' ' ARG . 28.2 mt -98.27 102.04 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.448 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.1 OUTLIER -87.88 -35.78 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -48.9 -40.78 31.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -89.6 -16.52 30.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.448 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 26.9 p -59.76 126.82 29.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.518 ' HB3' HD12 ' A' ' 103' ' ' ILE . 8.8 mm-40 -119.88 103.15 9.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 mt -116.13 12.58 15.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -111.92 2.15 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.641 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -101.6 164.14 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 103' ' ' ILE . 9.8 t -32.04 -58.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.616 ' O ' HD11 ' A' ' 103' ' ' ILE . 5.9 m-20 -110.52 102.12 50.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.4 Cg_endo -69.76 148.48 65.17 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.338 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.552 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 33.7 p90 -166.46 154.33 10.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.42 ' O ' HG22 ' A' ' 37' ' ' ILE . 64.2 mttt -108.95 131.15 55.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.505 HG12 HD12 ' A' ' 95' ' ' LEU . 91.3 t -93.56 139.42 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.472 ' CD2' ' HA ' ' A' ' 94' ' ' GLU . 9.8 m-85 -130.94 168.87 16.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.97 ' HB2' HD11 ' A' ' 95' ' ' LEU . 6.0 ttt180 -133.05 126.0 30.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 86.5 mt -73.88 102.78 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.453 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 4.0 t -76.71 125.05 87.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.74 . . . . 0.0 111.129 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -178.68 2.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.303 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -77.25 -51.06 11.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 66.6 m -108.95 145.66 35.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -73.19 -178.63 35.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -7.19 20.42 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.724 2.283 . . . . 0.0 112.326 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.3 m -81.79 131.13 35.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.818 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 72.2 m -147.3 168.72 21.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -77.68 143.18 38.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.916 0.389 . . . . 0.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 t -69.01 -58.39 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.75 95.12 0.14 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -63.61 -55.62 22.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m 57.72 43.73 21.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.92 -85.65 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.47 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.08 43.84 30.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.683 HD22 ' HB1' ' A' ' 85' ' ' ALA . 10.6 tp -91.71 -46.79 7.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -40.66 -66.21 0.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 12' ' ' TRP . 15.5 tp60 -63.54 -55.01 27.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.512 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 83.7 t90 -36.7 -61.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 16' ' ' GLN . 46.9 tp -54.72 -61.06 2.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.83 ' HA ' HD12 ' A' ' 17' ' ' ILE . 71.8 mt -41.04 -42.89 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -60.63 -39.59 88.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.443 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 50.1 mm-40 -64.57 -39.08 93.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.83 HD12 ' HA ' ' A' ' 14' ' ' ILE . 7.4 mt -67.99 -51.97 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -49.33 -54.24 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 p -56.94 -33.53 67.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.08 29.59 74.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -73.46 -38.7 65.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.759 0.314 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.443 ' CE1' ' HB3' ' A' ' 16' ' ' GLN . 1.6 m-85 -89.18 142.05 29.69 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.651 0.739 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 150.17 68.16 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.71 2.273 . . . . 0.0 112.358 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.2 -31.45 2.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.566 ' CD1' ' CE1' ' A' ' 35' ' ' PHE . 12.8 tp -77.64 105.42 8.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.4 m -156.04 145.31 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.6 ' CZ3' ' O ' ' A' ' 32' ' ' LYS . 87.9 m95 -77.34 124.09 27.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -72.2 -25.87 61.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.8 HD22 HD12 ' A' ' 34' ' ' ILE . 35.4 p30 -122.36 175.61 6.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -81.98 -34.48 29.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 8.7 pt-20 -55.51 -13.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.6 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 18.8 mmtm 63.12 32.03 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.7 t -105.67 -37.43 6.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.8 HD12 HD22 ' A' ' 29' ' ' ASN . 27.9 mt -102.19 130.23 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.566 ' CE1' ' CD1' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -147.19 165.06 31.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.428 ' N ' ' CD1' ' A' ' 35' ' ' PHE . 1.6 ptp180 -115.39 133.48 56.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.485 ' HB ' ' CE1' ' A' ' 35' ' ' PHE . 16.6 tt -113.28 130.19 23.87 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.667 0.746 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 111.37 2.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.323 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 -91.05 16.5 9.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -55.99 121.25 8.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -87.73 163.21 16.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.89 117.14 9.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.09 -76.6 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.447 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 28.8 mttm -66.02 172.47 3.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -117.5 -37.84 3.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -59.81 -31.93 70.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.575 ' CE1' ' HG2' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -61.6 177.84 0.37 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.821 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -90.9 125.21 35.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.575 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 29.8 mtm105 -97.95 -47.35 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.613 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 7.1 pt-20 -60.06 -40.75 90.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 3.9 tp10 -77.56 -46.88 20.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -64.24 -31.03 72.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -110.0 17.39 21.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 50' ' ' GLU . . . -68.79 -46.72 67.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.09 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.3 tp -58.79 -61.8 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -52.81 -49.28 65.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.444 ' HG2' ' CD1' ' A' ' 61' ' ' LEU . 33.1 tttt -56.63 -47.93 78.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.38 -46.84 47.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.512 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 73.6 t-105 -53.28 -52.79 57.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.07 -62.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.047 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.461 ' O ' ' C ' ' A' ' 62' ' ' PHE . 5.4 mt -54.59 -63.62 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.461 ' C ' ' O ' ' A' ' 61' ' ' LEU . 27.0 t80 -33.64 -67.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -50.11 -39.73 43.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 111.27 37.14 1.68 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.474 ' HE2' ' CZ ' ' A' ' 81' ' ' ARG . 21.6 mmmt -98.03 -35.65 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.408 ' O ' HD23 ' A' ' 61' ' ' LEU . 61.9 t80 -120.64 158.24 27.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -143.04 104.53 4.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 69' ' ' GLY . 18.3 tt0 -55.95 144.78 27.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.422 ' N ' ' HG2' ' A' ' 68' ' ' GLU . . . 89.1 -43.78 3.07 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.49 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 88.8 mt -83.89 -60.93 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.357 . . . . 0.0 111.119 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.75 172.96 6.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -93.17 128.73 41.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.561 0.696 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 128.61 16.29 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.334 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.547 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 9.8 t70 -133.92 102.06 12.43 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.625 0.726 . . . . 0.0 110.824 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.586 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.5 Cg_exo -48.02 -43.3 30.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.2 Cg_exo -48.01 -18.93 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.702 2.268 . . . . 0.0 112.318 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.8 m -92.85 -44.86 8.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.471 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 3.5 m0 -65.09 -58.45 6.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -48.74 -53.94 16.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.1 m -55.57 -61.56 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.474 ' CZ ' ' HE2' ' A' ' 65' ' ' LYS . 36.1 mtp85 -41.49 -67.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.9 tp -53.69 -44.33 69.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -55.26 -40.02 70.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.23 -50.25 61.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.683 ' HB1' HD22 ' A' ' 9' ' ' LEU . . . -54.23 -42.7 70.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.6 tp -48.4 -48.81 36.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -65.79 -46.04 80.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -50.53 -40.17 51.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.6 m -52.31 116.88 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.808 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -86.35 -29.33 23.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 113' ' ' VAL . 3.0 m-20 -77.84 9.22 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -106.72 142.67 35.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 5.9 tp10 -109.69 149.87 29.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.459 ' HG2' HG12 ' A' ' 96' ' ' VAL . 9.5 tt0 -93.6 113.21 25.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.782 HD12 HG12 ' A' ' 109' ' ' VAL . 9.2 mt -102.07 18.02 21.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.869 HG13 ' OE1' ' A' ' 97' ' ' GLU . 6.6 p -32.32 -30.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.869 ' OE1' HG13 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -48.73 -42.75 36.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -91.94 -23.35 19.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.441 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 26.1 p -52.01 126.32 18.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.588 ' HB3' HD12 ' A' ' 103' ' ' ILE . 11.3 mm-40 -118.43 108.69 15.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.0 mt -117.01 15.43 15.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.93 17.64 14.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.798 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -117.41 177.43 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.0 m -44.11 -59.63 2.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -110.5 103.3 53.94 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.564 0.697 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.4 Cg_endo -69.79 143.11 49.69 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.311 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 46.7 p90 -156.66 150.9 25.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.978 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 99' ' ' SER . 41.1 mttm -114.16 124.34 51.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.782 HG12 HD12 ' A' ' 95' ' ' LEU . 90.4 t -89.82 137.94 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -140.67 149.28 42.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.741 ' HB2' HD11 ' A' ' 95' ' ' LEU . 7.1 ttt85 -117.75 121.12 39.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 78.3 mt -72.7 101.96 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.483 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 4.0 t -75.82 119.64 78.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.62 0.724 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 179.79 3.42 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.722 2.281 . . . . 0.0 112.318 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -76.93 -51.79 10.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.0 m -116.93 172.28 7.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 176.26 -177.78 47.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 4.73 2.02 Favored 'Trans proline' 0 N--CA 1.466 -0.129 0 C-N-CA 122.703 2.269 . . . . 0.0 112.38 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 71.0 m -69.61 -57.8 4.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.1 m -126.45 120.0 28.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -129.56 128.01 41.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -63.74 -52.02 62.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.63 166.13 4.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -66.33 -47.1 74.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 110.855 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -69.23 151.97 45.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.25 -179.34 28.68 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.463 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.37 102.78 10.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 tp -83.42 -47.21 11.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -39.55 -62.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -68.3 -52.12 37.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -39.93 -60.48 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.572 HD23 ' HE2' ' A' ' 92' ' ' PHE . 50.7 tp -56.17 -61.9 2.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.438 ' HA ' HD12 ' A' ' 17' ' ' ILE . 85.4 mt -41.4 -41.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.22 -37.65 83.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 13' ' ' LEU . 49.6 mm-40 -66.59 -42.26 87.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.629 HG22 ' CD1' ' A' ' 27' ' ' TRP . 14.1 mt -67.73 -51.54 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.438 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 3.1 t70 -53.91 -44.07 70.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 p -63.94 -34.1 77.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.97 29.05 73.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -71.95 -41.47 67.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.751 0.31 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.422 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 2.0 m-85 -88.55 143.65 32.45 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.674 0.75 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 148.27 65.06 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.748 2.299 . . . . 0.0 112.334 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.33 -43.34 3.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.509 HD11 HG12 ' A' ' 17' ' ' ILE . 15.5 tp -67.42 102.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.9 m -148.34 147.47 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.629 ' CD1' HG22 ' A' ' 17' ' ' ILE . 98.0 m95 -78.46 116.65 19.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -58.68 -28.34 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.451 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 43.2 p30 -121.26 178.22 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -86.52 -30.86 21.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.4 pt-20 -61.92 -14.83 38.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.595 ' HD3' ' CD1' ' A' ' 27' ' ' TRP . 24.5 mmtm 65.79 34.63 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.52 ' HB2' HD12 ' A' ' 34' ' ' ILE . 6.3 m -97.16 -42.09 8.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.52 HD12 ' HB2' ' A' ' 33' ' ' SER . 4.5 mp -113.17 141.6 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.405 ' CD1' ' CZ3' ' A' ' 27' ' ' TRP . 6.6 p90 -147.1 174.8 11.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 0.4 OUTLIER -127.26 137.03 52.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 108' ' ' LYS . 4.7 tt -116.18 133.88 22.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.6 Cg_endo -69.76 122.58 9.26 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.692 2.262 . . . . 0.0 112.321 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -105.82 17.96 22.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.45 ' HD3' ' HD2' ' A' ' 106' ' ' PRO . 6.4 mmmt -51.97 151.74 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -99.55 113.6 26.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.3 108.28 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.17 -47.18 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.539 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 4.4 mptt -60.4 165.38 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.728 0.299 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -103.37 -38.0 7.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.98 -20.44 65.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.539 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -63.38 177.29 0.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.417 ' HB3' ' CB ' ' A' ' 51' ' ' GLU . 13.8 m-20 -95.05 118.01 31.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.473 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 82.0 mtm-85 -80.37 -50.94 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.611 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 14.9 mt-10 -64.44 -44.84 89.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.417 ' CB ' ' HB3' ' A' ' 48' ' ' ASN . 8.0 tp10 -58.11 -49.01 78.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.54 -45.25 80.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.624 ' HB1' ' CE3' ' A' ' 78' ' ' TRP . . . -91.28 17.92 7.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 50' ' ' GLU . . . -75.12 -44.67 45.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.422 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 14.2 tp -66.95 -61.22 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.939 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -48.53 -54.79 13.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.582 ' HD3' ' CZ2' ' A' ' 78' ' ' TRP . 1.0 OUTLIER -42.35 -56.45 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.04 -48.34 11.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.583 ' CZ2' ' HE2' ' A' ' 63' ' ' LYS . 39.7 t-105 -62.27 -63.26 1.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 59' ' ' TRP . . . -36.24 -54.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.632 HD21 ' HD1' ' A' ' 66' ' ' PHE . 6.3 mt -71.08 -41.39 70.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -56.19 -66.22 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.583 ' HE2' ' CZ2' ' A' ' 59' ' ' TRP . 10.8 tppt? -68.26 -61.21 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.42 -158.56 34.41 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -136.62 109.74 7.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.632 ' HD1' HD21 ' A' ' 61' ' ' LEU . 1.4 t80 -132.53 159.19 40.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.484 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 26.0 mtt85 -123.79 128.76 50.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 69' ' ' GLY . 5.0 pt-20 -86.87 -31.13 20.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 68' ' ' GLU . . . -92.27 -35.43 6.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.464 HD13 ' HG2' ' A' ' 67' ' ' ARG . 4.9 mp -86.14 -49.32 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 111.112 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -98.93 155.41 17.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.85 127.97 84.41 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 131.89 22.21 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.329 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.546 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 23.1 m-20 -135.11 101.97 11.13 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.603 0.716 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.598 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.1 Cg_exo -48.0 -43.31 30.58 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.246 . . . . 0.0 112.377 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.0 Cg_exo -48.0 -41.91 32.53 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.451 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 16.3 m -67.11 -48.56 67.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.624 ' CE3' ' HB1' ' A' ' 53' ' ' ALA . 4.2 m0 -62.2 -55.0 32.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -53.64 -59.05 5.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.5 m -57.1 -50.51 72.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 77' ' ' THR . 0.7 OUTLIER -40.75 -58.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.4 -48.79 71.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -41.63 -42.56 2.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.67 -44.33 74.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 86' ' ' LEU . . . -59.12 -62.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 85' ' ' ALA . 12.9 tp -35.91 -49.34 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -69.85 -45.13 68.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -52.95 -43.86 66.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.1 t -53.24 117.83 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -81.51 -27.34 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 113' ' ' VAL . 88.3 m-20 -77.68 8.43 4.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.572 ' HE2' HD23 ' A' ' 13' ' ' LEU . 4.4 m-85 -121.07 133.93 55.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.449 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.7 tt0 -109.94 141.35 42.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 1.1 tt0 -93.59 113.05 25.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.807 HD11 ' HB2' ' A' ' 111' ' ' ARG . 26.1 mt -97.49 101.99 13.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.451 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.0 OUTLIER -87.67 -35.68 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -51.62 -40.54 60.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -89.49 -17.66 28.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.451 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 9.2 p -59.8 140.88 56.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.773 ' HB3' HD12 ' A' ' 103' ' ' ILE . 41.1 mm-40 -131.54 102.14 5.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.448 HD11 ' NZ ' ' A' ' 108' ' ' LYS . 8.0 mt -117.45 14.83 14.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -117.9 9.6 12.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.796 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -109.12 167.4 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 103' ' ' ILE . 7.7 m -33.87 -55.13 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.528 ' O ' HD11 ' A' ' 103' ' ' ILE . 0.7 OUTLIER -113.99 104.55 54.93 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.629 0.728 . . . . 0.0 110.851 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 54.1 Cg_endo -69.72 147.7 63.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.38 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.45 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 32.3 p90 -166.29 152.03 8.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.528 ' O ' HG22 ' A' ' 37' ' ' ILE . 19.5 mttm -111.42 123.54 50.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.593 HG12 HD12 ' A' ' 95' ' ' LEU . 94.0 t -85.3 146.07 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.512 ' CE2' ' HB2' ' A' ' 94' ' ' GLU . 9.7 m-85 -139.66 167.94 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.807 ' HB2' HD11 ' A' ' 95' ' ' LEU . 8.4 ttt180 -131.26 126.94 36.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 84.4 mt -72.99 102.52 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.078 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.449 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 3.5 t -77.96 127.04 82.9 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.648 0.737 . . . . 0.0 111.132 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -175.71 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -106.14 141.5 37.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 68.3 m -83.16 106.77 15.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -106.59 146.59 16.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 122.56 9.23 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.707 2.271 . . . . 0.0 112.363 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -82.39 156.03 24.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 49.9 m -96.12 103.52 15.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.449 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t -142.81 135.48 27.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -125.38 109.46 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.11 66.6 3.76 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.549 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t -124.5 110.17 14.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 110.867 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.5 p -70.44 151.58 45.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.53 83.9 1.66 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 9' ' ' LEU . 2.8 mtpm? -90.09 -30.48 17.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.817 0.341 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 8' ' ' LYS . 5.1 tp -33.67 -39.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 92' ' ' PHE . 21.2 ttt-85 -44.27 -67.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -70.57 -49.96 42.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.544 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 76.2 t90 -41.25 -63.7 0.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' GLN . 29.4 tp -56.25 -57.03 13.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.6 mt -42.86 -40.23 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -65.32 -34.39 78.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' LEU . 40.0 mm-40 -71.04 -40.99 71.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.699 HG22 ' CD1' ' A' ' 27' ' ' TRP . 18.4 mt -67.21 -45.44 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -56.76 -44.39 81.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 p -65.87 -37.4 86.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.48 29.89 74.54 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -74.02 -38.28 64.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -88.91 142.1 30.16 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.673 0.749 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 153.45 69.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.282 . . . . 0.0 112.339 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.37 -41.04 2.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.416 HD11 HG12 ' A' ' 17' ' ' ILE . 17.8 tp -72.9 102.23 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.6 m -146.87 148.38 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.699 ' CD1' HG22 ' A' ' 17' ' ' ILE . 99.8 m95 -77.5 116.25 17.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -58.36 -29.7 66.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.441 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 35.0 p30 -120.95 176.47 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -84.35 -31.39 24.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.9 pt-20 -61.47 -13.92 24.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.621 ' CD ' ' CD1' ' A' ' 27' ' ' TRP . 16.7 mmtm 64.78 37.41 7.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.443 ' HB2' HD12 ' A' ' 34' ' ' ILE . 36.6 m -102.96 -37.38 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.443 HD12 ' HB2' ' A' ' 33' ' ' SER . 4.1 mp -115.85 127.6 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.499 ' CG ' HD13 ' A' ' 17' ' ' ILE . 12.0 p90 -131.83 174.62 9.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.491 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 1.7 ptt180 -129.09 136.02 49.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.488 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 2.7 tt -114.22 137.3 22.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.488 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.3 Cg_endo -69.8 117.95 5.39 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.719 2.279 . . . . 0.0 112.292 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.539 ' CD2' ' HD2' ' A' ' 108' ' ' LYS . 4.5 t-105 -112.37 102.81 10.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -126.23 153.36 44.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -84.53 149.88 25.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.23 126.06 32.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 172.49 30.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.432 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 1.8 mmpt? -147.44 138.59 23.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.714 0.292 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.14 -37.99 4.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.32 -30.75 62.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.432 ' CE1' ' O ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -71.38 170.42 13.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.813 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.448 ' ND2' ' HB2' ' A' ' 51' ' ' GLU . 41.7 t-20 -73.8 106.88 5.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -75.2 -61.43 1.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.502 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 9.2 pt-20 -47.38 -36.47 9.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' HB2' ' ND2' ' A' ' 48' ' ' ASN . 36.4 tt0 -64.4 -57.12 10.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 6.5 t0 -57.62 -35.59 70.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.22 17.89 23.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 50' ' ' GLU . . . -66.49 -32.05 73.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 tp -84.87 -55.2 4.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.581 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 96.6 m-85 -45.36 -49.11 13.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 58' ' ' ALA . 19.6 ptmt -54.32 -50.51 67.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.513 ' N ' ' HG3' ' A' ' 57' ' ' LYS . . . -48.39 -36.7 15.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.544 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 67.4 t-105 -65.99 -46.09 79.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.52 -52.15 54.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.497 HD21 ' HD2' ' A' ' 66' ' ' PHE . 7.0 mt -60.92 -48.0 83.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -61.27 -58.65 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.53 ' HG3' ' CE2' ' A' ' 59' ' ' TRP . 23.4 mmmt -65.13 -63.54 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -82.59 -155.05 16.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HD3' ' C ' ' A' ' 65' ' ' LYS . 1.2 tmtp? -140.32 102.24 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.497 ' HD2' HD21 ' A' ' 61' ' ' LEU . 11.1 t80 -127.21 138.39 53.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.729 ' HB2' HD12 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -101.95 129.43 48.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.474 ' CD ' ' N ' ' A' ' 69' ' ' GLY . 1.3 tm-20 -71.57 146.89 48.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.474 ' N ' ' CD ' ' A' ' 68' ' ' GLU . . . 77.88 -61.06 3.75 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.729 HD12 ' HB2' ' A' ' 67' ' ' ARG . 24.5 mt -53.2 -60.36 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -95.85 139.68 31.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -74.5 119.54 77.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.551 0.691 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.445 ' HB2' ' CH2' ' A' ' 78' ' ' TRP . 53.8 Cg_endo -69.81 160.69 48.77 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.686 2.258 . . . . 0.0 112.338 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.549 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 8.9 t70 -151.55 101.97 2.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.588 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.5 Cg_exo -47.92 -43.31 30.09 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.673 2.249 . . . . 0.0 112.362 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.7 Cg_exo -48.01 -48.93 15.03 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.2 m -62.62 -47.8 82.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.452 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 33.4 m0 -57.02 -43.14 81.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.581 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -66.87 -68.27 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.3 m -42.93 -60.1 1.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.458 ' N ' ' HD2' ' A' ' 81' ' ' ARG . 2.1 mpt_? -42.03 -52.31 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 83' ' ' ARG . 15.2 tp -64.06 -62.05 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.458 ' CD ' ' HE2' ' A' ' 79' ' ' LYS . 23.4 mtp180 -34.71 -38.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.2 t -69.89 -58.65 3.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -48.78 -49.36 39.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.7 tp -52.57 -41.07 63.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -73.0 -52.35 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -51.6 -50.09 60.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 m -53.84 102.24 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.411 ' C ' ' N ' ' A' ' 92' ' ' PHE . 50.7 t30 -68.96 -43.29 75.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -43.29 -23.72 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.439 ' CZ ' ' HA ' ' A' ' 10' ' ' ARG . 3.2 m-85 -100.59 135.49 41.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.482 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.7 tt0 -109.43 144.68 37.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.556 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 1.0 OUTLIER -100.35 117.73 35.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.918 HD11 ' HB2' ' A' ' 111' ' ' ARG . 18.5 mt -101.67 102.03 12.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.458 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.1 OUTLIER -88.17 -33.89 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -49.98 -39.15 40.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' A' ' 98' ' ' ARG . 5.9 mtt180 -91.29 -14.94 29.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.458 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 34.7 p -60.03 137.09 58.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.503 ' HB2' ' CE2' ' A' ' 107' ' ' TYR . 28.4 mm-40 -125.95 103.67 7.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.1 mt -109.3 -14.25 14.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -89.6 17.81 6.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.52 HD11 ' CE2' ' A' ' 107' ' ' TYR . 11.6 pt -112.85 157.49 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 103' ' ' ILE . 23.2 t -35.93 -43.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 3.1 m-20 -121.19 101.99 43.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.615 0.721 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 54.5 Cg_endo -69.7 140.74 43.63 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.345 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.52 ' CE2' HD11 ' A' ' 103' ' ' ILE . 44.8 p90 -158.03 148.77 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.539 ' HD2' ' CD2' ' A' ' 39' ' ' TRP . 14.9 mttm -107.92 127.04 53.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.476 HG12 HD12 ' A' ' 95' ' ' LEU . 97.2 t -88.49 145.66 7.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 94' ' ' GLU . 11.3 m-85 -136.43 168.23 19.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.918 ' HB2' HD11 ' A' ' 95' ' ' LEU . 6.6 ttt85 -135.87 126.15 26.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 94.2 mt -76.43 102.68 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 2.5 t -74.34 126.18 89.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 111.134 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 179.98 3.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.402 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 116' ' ' SER . 8.5 pt-20 -75.47 -38.72 59.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 15.3 t -155.0 125.94 7.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -77.65 167.44 53.83 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 143.62 51.59 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.5 m -75.21 108.62 8.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.2 t -62.61 -52.65 62.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -133.43 176.07 8.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -92.45 162.72 14.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.0 -132.99 2.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 6' ' ' SER . 47.3 m -125.14 134.52 52.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.848 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 5' ' ' SER . 16.8 m -37.65 -45.55 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -153.42 94.44 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.495 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 7' ' ' GLY . 24.1 mmtt -35.42 -61.39 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 tp -67.23 -42.23 84.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -42.38 -63.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -70.17 -49.85 46.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.569 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 79.9 t90 -41.76 -60.8 1.25 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.478 ' HG ' HD11 ' A' ' 17' ' ' ILE . 54.6 tp -53.88 -58.02 8.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.417 ' HA ' HD12 ' A' ' 17' ' ' ILE . 60.1 mt -42.95 -43.66 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.106 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -60.82 -40.16 91.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -65.79 -44.86 84.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.561 HG22 ' NE1' ' A' ' 27' ' ' TRP . 14.4 mt -64.19 -42.24 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -63.13 -53.75 48.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 p -52.03 -31.7 31.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.5 30.31 76.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -75.01 -39.46 61.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.456 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 2.4 m-85 -90.23 139.78 27.1 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.672 0.749 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.419 ' HD3' ' CG ' ' A' ' 51' ' ' GLU . 54.0 Cg_endo -69.76 149.99 67.61 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.246 . . . . 0.0 112.395 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.89 -46.17 3.64 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.4 tp -64.08 101.97 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.5 m -144.74 146.72 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.095 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.61 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 97.1 m95 -77.68 114.3 16.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.22 -31.22 69.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.462 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 41.3 p30 -121.67 145.23 48.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 31.8 mt-10 -57.28 -35.55 69.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.462 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 8.4 pt-20 -52.42 -15.03 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.61 ' HD3' ' CD1' ' A' ' 27' ' ' TRP . 13.3 mmtp 63.92 35.19 11.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.5 m -104.32 -37.54 7.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.445 HD12 ' ND2' ' A' ' 29' ' ' ASN . 19.1 mt -113.15 145.36 19.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -150.67 174.65 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.577 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 0.5 OUTLIER -127.23 136.17 51.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 108' ' ' LYS . 10.8 tt -113.76 132.1 22.76 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.734 . . . . 0.0 111.099 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 112.3 3.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.371 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -98.1 15.45 24.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -54.72 121.35 8.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.475 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 54.7 t-80 -65.15 169.59 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.475 ' N ' ' CG ' ' A' ' 41' ' ' HIS . . . -79.48 15.5 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.27 -44.65 2.25 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.84 148.49 51.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -108.81 -34.2 6.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -78.11 -0.41 28.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -64.69 125.97 26.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.94 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.407 ' C ' ' HD3' ' A' ' 49' ' ' ARG . 3.2 m120 -53.99 -13.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.586 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER 39.64 32.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.553 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 4.3 pt-20 -117.98 -37.99 3.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.419 ' CG ' ' HD3' ' A' ' 23' ' ' PRO . 2.7 tp10 -79.02 -48.22 14.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -59.53 -47.91 83.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . -74.56 -29.71 61.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 50' ' ' GLU . . . -34.41 -43.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.077 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 10.2 tp -73.89 -67.89 0.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.577 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 89.2 m-85 -42.23 -53.99 3.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.538 ' HG3' ' CE2' ' A' ' 78' ' ' TRP . 59.3 tttt -55.33 -58.77 6.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -39.32 -55.08 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.569 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 57.5 t-105 -49.58 -50.26 43.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.5 76.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.079 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 66' ' ' PHE . 14.6 mt -63.83 -65.66 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.472 ' C ' ' O ' ' A' ' 61' ' ' LEU . 32.0 t80 -32.03 -64.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.45 ' HD3' ' CZ3' ' A' ' 59' ' ' TRP . 19.0 mmmt -52.12 -42.25 63.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 114.73 43.54 0.74 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.545 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -102.38 -34.93 9.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.561 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 77.9 t80 -122.08 166.54 14.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.553 ' HB3' HD12 ' A' ' 70' ' ' ILE . 17.2 mmt180 -141.95 105.41 4.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -52.28 110.82 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.89 -41.17 2.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.553 HD12 ' HB3' ' A' ' 67' ' ' ARG . 74.3 mt -77.71 -63.1 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.561 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 1.7 t70 -89.2 176.3 7.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -90.66 126.43 56.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.599 0.714 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 109.93 2.42 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.541 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 30.0 m-20 -127.56 101.98 23.6 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.58 0.705 . . . . 0.0 110.857 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.597 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.3 Cg_exo -47.92 -43.49 29.65 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 63.9 Cg_exo -47.93 -49.14 14.43 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.458 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 88.6 m -60.53 -47.41 86.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.573 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 14.5 m0 -61.75 -54.2 45.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.577 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 24.4 ttmt -57.33 -55.9 28.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.9 m -57.38 -48.41 79.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 77' ' ' THR . 2.4 mmp_? -50.75 -56.49 11.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 38.7 tp -63.63 -41.3 98.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -52.26 -49.8 63.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.82 -44.01 97.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.51 -51.69 68.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.1 tp -45.03 -40.76 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -77.55 -46.53 22.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -53.22 -42.9 66.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.5 p -54.63 111.11 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -74.94 -30.14 61.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.1 m-20 -75.61 10.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.414 ' HE2' HD23 ' A' ' 13' ' ' LEU . 5.7 m-85 -124.94 133.83 52.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.475 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.5 tt0 -110.38 136.57 49.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 110' ' ' TYR . 0.8 OUTLIER -88.0 112.14 22.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.856 HD11 ' HB2' ' A' ' 111' ' ' ARG . 29.6 mt -96.57 102.04 13.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.476 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.0 OUTLIER -89.01 -34.25 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -51.08 -40.92 59.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -89.89 -14.3 34.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.476 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 21.7 p -61.38 129.94 43.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.91 ' HB3' HD12 ' A' ' 103' ' ' ILE . 10.6 mm-40 -122.1 102.0 7.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.1 mt -118.02 10.47 13.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -112.11 5.06 18.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.91 HD12 ' HB3' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -105.02 168.0 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 103' ' ' ILE . 29.9 m -32.03 -59.39 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.544 ' O ' HD11 ' A' ' 103' ' ' ILE . 10.0 m-20 -111.68 105.46 56.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.4 Cg_endo -69.73 149.35 66.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.279 . . . . 0.0 112.314 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.577 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 44.8 p90 -167.45 153.78 7.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.594 ' O ' HG22 ' A' ' 37' ' ' ILE . 63.4 mttt -112.2 126.58 55.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.504 HG12 HD12 ' A' ' 95' ' ' LEU . 89.5 t -89.07 148.47 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 94' ' ' GLU . 8.7 m-85 -140.57 170.64 15.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.856 ' HB2' HD11 ' A' ' 95' ' ' LEU . 12.4 ttt180 -135.16 124.62 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 79.3 mt -71.11 104.0 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 91' ' ' ASP . 5.0 t -80.06 122.68 83.34 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -174.94 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.272 . . . . 0.0 112.355 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -106.53 175.07 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.2 t -152.15 116.74 5.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -93.88 153.38 21.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 5.36 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 21.8 m -65.3 -59.08 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.7 m -116.16 123.74 48.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 m -82.7 177.68 8.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 0.0 110.867 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -68.12 173.47 4.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.06 55.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 t -64.36 -51.48 63.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.844 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 m 53.91 42.63 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.22 109.81 0.67 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.33 -49.36 7.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 10' ' ' ARG . 8.4 tp -75.23 -42.74 54.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 9' ' ' LEU . 3.3 tmt_? -35.8 -66.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' TRP . 2.2 tp60 -71.86 -53.77 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.424 ' C ' ' O ' ' A' ' 11' ' ' GLN . 91.5 t90 -36.58 -61.52 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 16' ' ' GLN . 39.5 tp -52.96 -60.74 2.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.3 mt -42.08 -42.82 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.44 -38.63 81.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.462 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 40.7 mm-40 -68.8 -43.31 75.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.577 HG22 ' NE1' ' A' ' 27' ' ' TRP . 20.1 mt -66.01 -51.66 57.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -52.44 -47.52 66.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.1 p -62.43 -34.57 77.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.9 27.57 71.44 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -72.39 -37.88 68.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.5 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 2.7 m-85 -87.57 141.81 32.43 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.725 0.774 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 147.16 62.44 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.689 2.259 . . . . 0.0 112.299 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.13 -38.49 2.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.3 tp -69.87 108.06 3.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 110.945 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.5 m -156.41 149.73 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.629 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 89.5 m95 -77.83 121.16 23.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -63.88 -26.21 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.449 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 33.4 p30 -124.44 168.07 13.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.13 -30.07 49.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.449 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.2 pt-20 -57.35 -13.58 3.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.629 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 2.2 mmmm 63.01 35.21 13.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.1 m -106.19 -37.39 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.429 HD12 ' ND2' ' A' ' 29' ' ' ASN . 19.7 mt -111.58 140.6 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.153 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.423 ' CG ' HD13 ' A' ' 17' ' ' ILE . 22.6 p90 -145.43 166.72 24.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.545 ' HB2' ' CD1' ' A' ' 107' ' ' TYR . 0.9 OUTLIER -121.47 134.12 55.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.462 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 7.7 tt -115.32 136.13 22.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.462 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 54.1 Cg_endo -69.76 113.16 3.28 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.38 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -94.13 16.68 14.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.448 ' CE ' ' HD2' ' A' ' 106' ' ' PRO . 16.4 ttmt -56.61 108.31 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.636 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 18.4 p-80 -81.43 -60.17 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.636 ' N ' ' CG ' ' A' ' 41' ' ' HIS . . . -160.14 101.96 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.13 -59.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.482 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.553 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 13.4 mmtm -60.5 170.95 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.702 0.286 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -141.79 144.92 34.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t0 52.53 32.0 10.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.553 ' CD1' ' HB3' ' A' ' 44' ' ' LYS . 19.5 p90 -105.11 171.9 7.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -73.06 102.45 3.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.5 ttp180 -84.79 -41.56 16.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -42.81 -51.51 5.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -54.44 -55.34 29.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -56.75 -18.58 13.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.31 -29.11 13.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.62 -42.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.5 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 29.2 tp -71.89 -60.66 2.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -51.0 -59.26 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.401 ' HG3' ' CE3' ' A' ' 78' ' ' TRP . 19.5 mtpp -52.07 -58.68 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -38.11 -43.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.419 ' CH2' ' HD3' ' A' ' 63' ' ' LYS . 31.0 t-105 -55.68 -55.91 26.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.82 -61.6 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.7 mt -46.8 -36.88 7.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -70.74 -57.43 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.419 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 2.3 mmmp? -49.8 -59.21 4.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -125.07 -143.25 6.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.06 105.97 8.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.517 ' CE1' ' HA ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -117.23 131.26 56.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.7 ' HD2' HD12 ' A' ' 70' ' ' ILE . 24.8 mmt180 -90.44 104.16 16.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.517 ' HA ' ' CE1' ' A' ' 66' ' ' PHE . 3.6 pm0 -70.0 -32.56 70.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.37 -37.28 15.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.7 HD12 ' HD2' ' A' ' 67' ' ' ARG . 80.9 mt -86.03 -58.8 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 111.154 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -83.04 129.81 35.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -59.31 120.7 50.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.628 0.728 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 136.72 33.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.62 2.214 . . . . 0.0 112.368 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.533 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 20.1 m-20 -135.81 102.08 10.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.58 0.705 . . . . 0.0 110.823 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.596 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 66.0 Cg_exo -48.03 -43.41 30.49 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.334 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.0 Cg_exo -47.93 -27.46 8.73 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.659 2.239 . . . . 0.0 112.373 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.8 m -81.71 -47.09 13.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.472 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 6.2 m0 -63.58 -51.1 66.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -56.13 -53.86 52.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.485 ' HA ' ' CD ' ' A' ' 83' ' ' ARG . 62.2 m -59.99 -38.45 82.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -60.91 -61.59 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.8 tp -56.5 -62.42 1.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.487 ' HG3' ' N ' ' A' ' 84' ' ' CYS . 8.9 ptm180 -39.3 -41.7 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.487 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 9.7 m -61.87 -53.6 53.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.15 -38.57 83.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.7 tp -56.2 -40.85 74.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -81.7 -47.34 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -51.66 -42.9 62.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.4 p -52.11 104.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -63.68 -27.91 69.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.33 11.41 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -125.7 140.26 52.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.471 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 3.1 tt0 -116.74 141.63 47.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.542 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 2.4 tt0 -96.9 115.52 27.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.762 HD12 HG12 ' A' ' 109' ' ' VAL . 13.1 mt -98.9 101.95 13.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 96' ' ' VAL . 0.1 OUTLIER -86.55 -42.62 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.849 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -43.64 -35.96 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -93.34 -22.73 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 m -54.39 131.47 42.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 23.0 mm-40 -125.39 109.33 12.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.4 mt -115.06 -13.78 11.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -88.97 13.58 12.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.45 ' O ' ' C ' ' A' ' 104' ' ' SER . 49.7 pt -109.84 156.35 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 103' ' ' ILE . 46.4 t -33.69 -51.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.403 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 22.8 t0 -114.42 101.97 54.53 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.618 0.723 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 54.2 Cg_endo -69.69 148.44 65.52 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.361 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.545 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 30.5 p90 -164.94 152.15 11.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -111.28 133.23 53.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.762 HG12 HD12 ' A' ' 95' ' ' LEU . 52.9 t -97.51 135.41 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.542 ' CE2' ' HB2' ' A' ' 94' ' ' GLU . 12.6 m-85 -131.02 152.99 49.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.647 ' HB2' HD11 ' A' ' 95' ' ' LEU . 10.4 ttt85 -116.25 127.81 55.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 92.9 mt -73.18 102.8 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 4.7 t -79.71 127.34 78.14 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.635 0.731 . . . . 0.0 111.129 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -178.1 2.19 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -91.41 162.95 14.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 66.7 p 52.0 40.23 27.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -69.37 165.26 49.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 5.03 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.343 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.6 t -64.02 122.43 16.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 87.8 p -77.58 -50.19 13.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.456 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -136.77 123.14 20.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.933 0.396 . . . . 0.0 110.877 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.0 t -142.12 130.15 21.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.36 114.55 1.22 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 6' ' ' SER . 82.7 p -81.73 136.37 35.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.874 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 5' ' ' SER . 72.1 p -35.02 -46.75 0.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.92 143.96 3.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.438 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.475 ' O ' ' C ' ' A' ' 9' ' ' LEU . 17.2 tptm -143.86 156.94 44.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 8' ' ' LYS . 17.9 tp -32.14 -48.36 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.928 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.5 ' O ' HD12 ' A' ' 14' ' ' ILE . 19.2 tpt85 -37.85 -68.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -79.83 -44.77 19.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.425 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 88.8 t90 -41.42 -65.69 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 16' ' ' GLN . 52.2 tp -54.68 -61.88 2.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.848 ' HA ' HD12 ' A' ' 17' ' ' ILE . 92.5 mt -40.71 -40.34 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -64.34 -39.46 93.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 13' ' ' LEU . 45.9 mm-40 -63.89 -36.68 84.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 14' ' ' ILE . 7.2 mt -68.94 -49.72 60.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -53.03 -56.28 17.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.8 p -52.46 -33.05 42.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.65 30.58 77.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.544 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -75.04 -39.46 60.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.545 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 2.7 m-85 -90.71 140.95 26.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.714 0.768 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 150.26 67.96 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.634 2.223 . . . . 0.0 112.353 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.17 -32.41 3.03 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.539 ' CD1' ' CE1' ' A' ' 35' ' ' PHE . 13.2 tp -77.77 104.56 8.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.9 m -155.13 145.72 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.623 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 85.4 m95 -77.51 124.84 28.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -68.81 -26.61 65.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.444 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 36.5 p30 -123.16 170.79 9.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.42 -31.79 42.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.444 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 9.0 pt-20 -56.29 -13.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.623 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 2.2 mmmp? 62.94 32.01 15.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.0 m -105.85 -37.57 6.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.507 HG23 HD12 ' A' ' 95' ' ' LEU . 74.8 mt -106.73 131.01 57.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.539 ' CE1' ' CD1' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -144.18 163.82 32.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -114.64 132.74 56.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.495 ' HB ' ' CE1' ' A' ' 35' ' ' PHE . 14.3 tt -113.28 133.25 22.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.662 0.744 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 111.09 2.71 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.748 2.299 . . . . 0.0 112.309 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.458 ' CD2' ' HD2' ' A' ' 108' ' ' LYS . 3.2 t-105 -104.48 101.95 11.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.946 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.48 ' CG ' ' HG2' ' A' ' 106' ' ' PRO . 7.2 mtpm? -145.31 108.01 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.47 ' N ' ' ND1' ' A' ' 41' ' ' HIS . 0.0 OUTLIER -54.09 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' GLY . . . -117.41 -31.73 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . 35.31 -130.12 0.69 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.23 166.85 20.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.746 0.308 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -113.39 -37.95 4.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -60.16 -30.71 69.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -59.58 153.56 19.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.804 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -54.3 119.68 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -86.55 -44.51 11.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 10.5 pt-20 -66.43 -48.93 68.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.26 -49.7 76.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.02 -43.92 81.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 49' ' ' ARG . . . -87.76 17.75 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.08 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 50' ' ' GLU . . . -74.6 -45.28 46.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.545 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 9.5 tp -59.01 -49.0 79.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.778 ' CD1' HD23 ' A' ' 82' ' ' LEU . 95.1 m-85 -61.31 -59.57 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.585 ' HD3' ' CH2' ' A' ' 78' ' ' TRP . 18.3 tptm -40.3 -54.32 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -44.49 -54.49 5.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.58 ' CZ2' ' HG3' ' A' ' 63' ' ' LYS . 64.6 t-105 -53.06 -54.29 37.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.447 ' CB ' ' CD1' ' A' ' 78' ' ' TRP . . . -42.22 -44.08 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 66' ' ' PHE . 7.9 mt -76.42 -39.42 53.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.407 ' CD2' ' CZ3' ' A' ' 59' ' ' TRP . 58.7 t80 -52.52 -53.43 46.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.58 ' HG3' ' CZ2' ' A' ' 59' ' ' TRP . 5.3 mmmm -97.65 -58.31 2.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.36 -38.13 61.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.41 ' HD3' ' O ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER 65.61 38.74 5.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.787 0.327 . . . . 0.0 110.886 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.54 ' O ' HD23 ' A' ' 61' ' ' LEU . 1.7 t80 -59.3 149.24 29.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.419 ' HB3' HD12 ' A' ' 70' ' ' ILE . 3.8 mpt_? -103.83 113.75 27.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.49 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 7.9 tt0 -65.0 108.5 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.05 -51.09 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.419 HD12 ' HB3' ' A' ' 67' ' ' ARG . 60.1 mt -68.28 -50.86 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 0.0 111.093 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.443 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 3.9 m-20 -100.24 164.53 11.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -91.09 123.4 64.62 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.558 0.694 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 125.32 12.02 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.543 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 1.2 p30 -131.71 102.03 15.28 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.602 0.715 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.584 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.9 Cg_exo -48.04 -43.22 31.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.364 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.0 Cg_exo -48.02 -38.41 31.7 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.695 2.264 . . . . 0.0 112.35 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.941 HG22 ' HD3' ' A' ' 81' ' ' ARG . 2.2 m -74.62 -48.21 27.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.585 ' CH2' ' HD3' ' A' ' 57' ' ' LYS . 12.5 m0 -53.4 -44.05 68.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -63.34 -43.88 96.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.931 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.5 m -65.48 -54.97 20.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.156 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.941 ' HD3' HG22 ' A' ' 77' ' ' THR . 2.4 mpt_? -51.49 -17.98 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.778 HD23 ' CD1' ' A' ' 56' ' ' PHE . 21.8 tp -94.81 -43.06 8.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.446 ' HG2' ' CH2' ' A' ' 39' ' ' TRP . 49.5 mtt180 -66.69 -40.74 88.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 81' ' ' ARG . 7.4 p -48.59 -52.61 22.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.35 -48.75 63.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.1 tp -42.91 -37.9 2.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -79.43 -45.8 18.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -51.24 -35.9 39.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.4 m -52.24 114.46 1.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -86.51 -28.35 23.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 113' ' ' VAL . 24.7 m-20 -78.02 10.0 3.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -106.33 140.2 39.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 2.7 tt0 -109.83 149.4 29.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.548 ' HG2' HG12 ' A' ' 96' ' ' VAL . 10.5 tt0 -96.77 110.45 22.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.76 HD12 HG12 ' A' ' 109' ' ' VAL . 14.3 mt -96.58 18.0 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.548 HG12 ' HG2' ' A' ' 94' ' ' GLU . 7.0 p -33.09 -33.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 95' ' ' LEU . 73.1 mt-10 -46.8 -44.41 19.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -90.16 -22.83 21.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.411 ' HB2' ' HA ' ' A' ' 108' ' ' LYS . 54.2 p -52.1 144.92 11.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.451 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 9.0 mm-40 -128.2 107.87 10.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.6 mt -115.93 15.38 16.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -118.03 17.52 14.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.797 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -117.09 172.1 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.7 m -39.62 -59.49 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.42 ' HA ' ' HD2' ' A' ' 106' ' ' PRO . 58.8 m-20 -111.53 102.8 54.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.484 ' HA ' HD11 ' A' ' 103' ' ' ILE . 53.7 Cg_endo -69.82 150.82 68.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.651 2.234 . . . . 0.0 112.375 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.451 ' CE1' ' HB2' ' A' ' 100' ' ' GLN . 49.9 p90 -161.87 150.47 15.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.458 ' HD2' ' CD2' ' A' ' 39' ' ' TRP . 40.5 mttm -112.35 122.31 47.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.76 HG12 HD12 ' A' ' 95' ' ' LEU . 57.3 t -87.37 132.2 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -132.41 151.3 51.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.749 ' HB2' HD11 ' A' ' 95' ' ' LEU . 13.6 ttt180 -120.82 118.74 30.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 88.2 mt -70.51 102.09 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 91' ' ' ASP . 2.9 t -76.3 127.56 84.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 0.0 111.12 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -177.09 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -70.07 150.63 46.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 80.7 p -76.75 176.9 8.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -141.72 176.64 21.81 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 8.29 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.361 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.5 m -117.18 120.53 38.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.3 m -120.22 121.31 38.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -57.99 -61.05 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.908 0.385 . . . . 0.0 110.87 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -151.64 107.8 3.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.5 178.99 46.1 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -96.42 174.63 6.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.87 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 t -82.87 155.51 24.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.28 101.68 2.59 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -146.22 132.35 19.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.813 0.34 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.513 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 5.0 tp -73.07 -47.18 46.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -39.37 -64.12 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' TRP . 10.0 tp60 -66.27 -54.58 23.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.576 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 69.9 t90 -37.83 -62.7 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.437 ' N ' ' CE3' ' A' ' 12' ' ' TRP . 48.3 tp -54.13 -63.34 1.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.593 ' HA ' HD12 ' A' ' 17' ' ' ILE . 72.9 mt -41.15 -40.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -64.7 -39.85 94.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 13' ' ' LEU . 50.3 mm-40 -62.71 -42.09 99.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.654 HG22 ' CD1' ' A' ' 27' ' ' TRP . 16.4 mt -63.24 -48.24 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -53.73 -56.23 19.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 p -52.75 -33.94 50.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.96 28.58 70.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -71.87 -38.28 70.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -86.51 140.04 33.8 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.668 0.747 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 136.63 33.48 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.56 -36.87 3.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 tp -72.97 105.11 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.4 m -153.59 147.05 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.654 ' CD1' HG22 ' A' ' 17' ' ' ILE . 87.6 m95 -78.2 122.41 25.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -65.68 -26.78 67.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.53 ' ND2' HD12 ' A' ' 34' ' ' ILE . 24.9 p30 -123.12 178.19 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -85.92 -30.75 22.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.462 ' CG ' ' ND2' ' A' ' 29' ' ' ASN . 7.7 pt-20 -55.44 -16.98 4.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.654 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 4.1 mmmm 64.56 36.88 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.4 p -111.0 -33.84 6.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.53 HD12 ' ND2' ' A' ' 29' ' ' ASN . 18.1 mt -110.43 139.03 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -150.63 172.66 15.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -124.36 136.63 54.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.686 HG22 ' O ' ' A' ' 108' ' ' LYS . 10.0 tt -113.58 132.55 22.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.639 0.733 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD2' HG13 ' A' ' 37' ' ' ILE . 54.0 Cg_endo -69.81 115.9 4.32 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.406 ' O ' ' HB2' ' A' ' 106' ' ' PRO . 1.4 t-105 -117.67 101.98 8.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.485 ' HD2' ' CG ' ' A' ' 106' ' ' PRO . 7.8 tptp -111.95 136.84 50.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -96.89 168.47 10.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.62 108.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -172.03 -90.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.559 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 28.0 mttt -70.7 125.68 27.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.704 0.288 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.467 ' HG3' ' CZ ' ' A' ' 49' ' ' ARG . 14.9 tt0 -92.94 -45.55 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' GLN . 33.3 t0 -37.54 -37.64 0.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.559 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 0.5 OUTLIER -56.98 144.38 34.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.845 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -56.08 121.64 9.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.471 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 43.8 mtt180 -97.29 -45.28 6.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -69.83 -45.27 68.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -55.17 -44.9 75.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -40.5 82.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 54' ' ' ALA . . . -69.32 -31.98 70.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -34.5 -54.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.8 tp -57.71 -64.71 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -45.22 -58.37 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.563 ' HD2' ' CH2' ' A' ' 78' ' ' TRP . 72.9 tttt -48.48 -52.51 21.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.43 -48.58 13.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.576 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 28.9 t-105 -53.16 -61.03 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -42.53 -57.49 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.091 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.499 HD21 ' CD2' ' A' ' 66' ' ' PHE . 11.0 mt -57.68 -55.63 32.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 61' ' ' LEU . 84.9 t80 -32.25 -56.48 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.56 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 8.8 mmmm -67.44 -43.13 81.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 116.54 48.51 0.46 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -110.02 -30.95 7.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.499 ' CD2' HD21 ' A' ' 61' ' ' LEU . 56.4 t80 -105.89 152.3 23.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.522 ' HG2' HD12 ' A' ' 70' ' ' ILE . 2.9 tpt180 -127.84 102.16 6.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -65.23 117.16 7.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.59 -40.73 2.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.54 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.522 HD12 ' HG2' ' A' ' 67' ' ' ARG . 77.6 mt -90.83 -51.42 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -98.82 127.48 44.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.24 132.59 60.91 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.603 0.716 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.492 ' HA ' ' CE1' ' A' ' 66' ' ' PHE . 53.7 Cg_endo -69.78 132.23 22.87 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.356 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.541 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 1.2 m-20 -141.47 103.07 5.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.611 0.72 . . . . 0.0 110.868 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.587 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.3 Cg_exo -48.06 -43.33 30.88 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.658 2.238 . . . . 0.0 112.34 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 65.0 Cg_exo -48.01 -56.63 2.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.26 . . . . 0.0 112.356 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.6 m -53.65 -45.88 70.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.581 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 21.1 m0 -62.04 -56.29 20.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -52.35 -61.03 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.8 m -49.58 -50.02 44.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -47.8 -64.84 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.9 tp -55.48 -54.35 44.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.405 ' HG2' ' CH2' ' A' ' 39' ' ' TRP . 43.6 mtp180 -40.44 -44.57 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.86 -48.5 71.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' LEU . . . -55.38 -62.33 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' ALA . 23.2 tp -34.1 -52.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -65.58 -47.61 75.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -51.73 -39.04 57.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.5 t -52.26 116.39 2.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -85.97 -31.21 22.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -76.02 7.26 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -114.13 139.47 49.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 0.7 OUTLIER -112.03 150.98 29.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.514 ' HG3' ' CZ ' ' A' ' 110' ' ' TYR . 4.1 tt0 -94.39 126.46 39.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.939 HD12 HG12 ' A' ' 109' ' ' VAL . 66.8 mt -105.97 20.72 18.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.549 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 0.1 OUTLIER -31.98 -35.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 95' ' ' LEU . 17.5 mt-10 -47.22 -45.17 23.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -89.33 -17.87 28.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.549 ' HB3' ' HA ' ' A' ' 96' ' ' VAL . 33.7 p -52.05 147.79 6.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.924 ' HB3' HD12 ' A' ' 103' ' ' ILE . 37.7 mm-40 -135.85 102.1 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.0 mt -113.99 11.07 17.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -116.67 18.04 15.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.924 HD12 ' HB3' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -117.27 172.83 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 103' ' ' ILE . 5.3 m -34.92 -60.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -113.89 107.9 51.81 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.584 0.706 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.485 ' CG ' ' HD2' ' A' ' 40' ' ' LYS . 53.6 Cg_endo -69.79 149.76 67.1 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 100' ' ' GLN . 49.0 p90 -168.3 154.29 7.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.978 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.686 ' O ' HG22 ' A' ' 37' ' ' ILE . 45.6 mttm -116.35 126.0 52.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.939 HG12 HD12 ' A' ' 95' ' ' LEU . 42.5 t -90.48 143.45 11.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.514 ' CZ ' ' HG3' ' A' ' 94' ' ' GLU . 11.7 m-85 -137.32 158.95 43.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.568 ' HB2' HD11 ' A' ' 95' ' ' LEU . 13.1 ttt180 -124.56 122.22 36.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.9 mt -74.39 105.88 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 3.5 t -77.75 123.42 86.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.64 0.733 . . . . 0.0 111.134 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -174.38 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.741 2.294 . . . . 0.0 112.359 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -85.12 -49.85 7.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.9 p -83.85 153.86 23.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 159.06 -165.53 34.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.447 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -179.68 3.07 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.721 2.281 . . . . 0.0 112.345 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t -92.53 159.14 15.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.824 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.8 t -97.27 -48.56 5.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.435 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 1' ' ' GLY . 58.3 m -37.69 -53.92 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.353 . . . . 0.0 110.793 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -82.17 -60.5 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.61 119.54 0.79 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 t -92.4 -44.31 8.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 0.0 110.888 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -70.85 170.29 12.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.5 -43.08 1.73 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.27 -50.48 50.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.822 0.344 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.568 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 4.8 tp -40.18 -39.79 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.7 tpt85 -42.87 -66.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -76.88 -46.54 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.8 t90 -40.62 -67.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.693 HD21 ' CZ ' ' A' ' 35' ' ' PHE . 24.3 tp -51.35 -62.39 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 93.2 mt -35.8 -48.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -49.37 -50.27 40.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.475 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 10.7 mm-40 -61.21 -55.47 31.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.736 HD13 ' CD1' ' A' ' 35' ' ' PHE . 20.0 mt -47.79 -41.45 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.54 ' N ' ' HE1' ' A' ' 27' ' ' TRP . 4.7 t0 -72.02 -66.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.434 ' HB2' ' CG ' ' A' ' 21' ' ' LYS . 9.1 p -42.77 -28.13 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.17 32.41 60.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' CG ' ' HB2' ' A' ' 19' ' ' SER . 25.8 mtmt -73.35 -36.82 66.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.576 ' CE2' ' HA ' ' A' ' 55' ' ' LEU . 14.9 m-85 -86.32 139.61 34.12 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.688 0.756 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.52 50.98 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.88 -48.52 3.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.457 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -66.91 121.83 16.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.642 ' N ' HD22 ' A' ' 25' ' ' LEU . 33.5 m -162.72 169.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.689 ' CD1' HG22 ' A' ' 17' ' ' ILE . 96.9 m95 -92.63 122.04 34.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' ILE . 8.0 mt-10 -59.98 -29.73 68.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.448 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 33.9 p30 -125.34 175.95 7.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -82.14 -31.97 30.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 11.7 pt-20 -61.19 -14.06 22.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.655 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . 18.9 mmtm 65.08 35.79 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.2 t -100.04 -41.42 7.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.9 mp -114.0 109.96 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.736 ' CD1' HD13 ' A' ' 17' ' ' ILE . 20.8 p90 -117.32 162.07 18.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.432 ' HB2' ' CD2' ' A' ' 107' ' ' TYR . 1.0 OUTLIER -123.97 129.09 50.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.655 HD11 ' CD2' ' A' ' 55' ' ' LEU . 11.6 tt -111.82 135.9 21.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.637 0.732 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.2 Cg_endo -69.75 115.83 4.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.434 ' O ' ' HG2' ' A' ' 106' ' ' PRO . 3.4 t-105 -110.69 101.98 10.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -156.99 163.22 39.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -136.09 102.23 4.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.02 -67.48 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.63 -43.04 1.79 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -64.18 161.81 15.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.426 ' HG3' ' NH2' ' A' ' 49' ' ' ARG . 12.5 mp0 -117.56 -33.8 4.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -59.0 -23.32 61.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.487 ' CE1' ' HG2' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -80.8 175.73 10.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.838 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -71.23 109.72 5.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.487 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 11.8 mmt85 -88.55 -44.72 10.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' ALA . 4.7 pt-20 -52.38 -39.33 60.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.44 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -66.44 -58.24 5.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -55.92 -38.53 70.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.63 17.99 23.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -57.69 -37.97 74.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.655 ' CD2' HD11 ' A' ' 37' ' ' ILE . 5.4 tp -73.96 -50.24 20.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CD1' HD23 ' A' ' 82' ' ' LEU . 62.8 m-85 -59.35 -50.05 75.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.475 ' HD2' ' CH2' ' A' ' 78' ' ' TRP . 65.1 tttt -53.15 -51.04 63.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -43.68 -39.99 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 9' ' ' LEU . 44.5 t-105 -53.47 -63.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.54 -66.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.09 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.428 HD12 ' HG2' ' A' ' 57' ' ' LYS . 15.1 mt -43.48 -41.06 4.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.484 ' CD2' ' N ' ' A' ' 63' ' ' LYS . 5.9 t80 -66.45 -67.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.54 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 12.8 mmmm -35.53 -63.81 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -118.7 -139.6 6.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -130.73 105.04 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.343 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -117.09 153.97 31.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.887 ' HG2' HD12 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -119.11 134.56 55.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 69' ' ' GLY . 4.5 pt-20 -90.89 -28.33 18.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.404 ' N ' ' HG3' ' A' ' 68' ' ' GLU . . . -82.28 -39.73 10.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.887 HD12 ' HG2' ' A' ' 67' ' ' ARG . 17.7 mt -84.23 -62.25 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 111.153 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.64 148.65 30.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.815 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -77.18 122.04 85.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.559 0.695 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 136.97 34.14 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.547 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 5.7 m-20 -139.46 102.12 7.31 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.582 0.706 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.599 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.4 Cg_exo -47.93 -43.4 29.96 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.374 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.3 Cg_exo -47.99 -31.71 16.48 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.32 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.3 m -76.67 -48.52 18.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.158 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.523 ' CE3' ' HA ' ' A' ' 75' ' ' PRO . 9.2 m0 -61.68 -47.37 85.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -57.8 -56.06 26.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.0 m -59.87 -57.46 12.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.0 mmt-85 -39.5 -64.6 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 83' ' ' ARG . 61.5 tp -60.78 -63.97 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 82' ' ' LEU . 29.6 ttt180 -35.09 -62.18 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.6 t -38.56 -62.17 0.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 87' ' ' ASN . . . -48.33 -62.09 1.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 85' ' ' ALA . 28.9 tp -33.48 -34.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.5 OUTLIER -81.4 -56.69 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -50.53 -45.98 57.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.2 m -52.07 115.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' PHE . 33.8 m120 -82.17 -37.88 25.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 113' ' ' VAL . 1.8 p30 -38.42 -29.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 90' ' ' ASN . 17.4 m-30 -101.49 153.53 19.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.428 ' HB2' HG22 ' A' ' 113' ' ' VAL . 1.2 tp10 -112.76 150.54 31.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -83.06 108.77 16.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.753 HD12 HG12 ' A' ' 109' ' ' VAL . 23.8 mt -97.22 17.98 16.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 95' ' ' LEU . 10.0 p -35.72 -28.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 95' ' ' LEU . 48.8 mt-10 -48.28 -43.8 33.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -91.77 -18.74 23.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.2 m -52.52 131.38 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 14.6 mm-40 -123.53 105.01 9.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.3 mt -106.15 -11.27 16.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -92.15 17.98 8.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 104' ' ' SER . 33.3 pt -113.28 161.5 12.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 103' ' ' ILE . 8.1 t -37.08 -53.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -114.77 102.0 54.65 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.65 0.738 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 54.0 Cg_endo -69.7 148.06 64.63 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.373 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.441 ' HA ' ' O ' ' A' ' 37' ' ' ILE . 47.9 p90 -161.98 148.05 13.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.961 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -109.77 123.65 49.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.753 HG12 HD12 ' A' ' 95' ' ' LEU . 44.9 t -92.5 146.59 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -144.33 148.43 34.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.75 ' HB2' HD11 ' A' ' 95' ' ' LEU . 8.4 ttt180 -114.07 122.91 48.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 79.0 mt -71.17 102.04 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.428 HG22 ' HB2' ' A' ' 93' ' ' GLU . 2.5 t -72.3 121.83 85.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.7 . . . . 0.0 111.149 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -175.32 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 116' ' ' SER . 8.2 pt-20 -63.87 -42.81 97.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.451 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 5.7 t -127.16 103.62 7.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -55.19 167.21 2.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 94.86 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.726 2.284 . . . . 0.0 112.328 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 63.7 p -162.3 155.88 20.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 92.2 p -66.17 169.12 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -67.06 162.9 21.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -101.72 144.72 30.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.56 -46.79 1.26 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.519 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 m 62.61 42.64 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -135.19 128.45 32.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.26 126.78 2.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.441 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 12' ' ' TRP . 18.6 tptt -133.77 106.74 7.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.421 HD22 ' HB1' ' A' ' 85' ' ' ALA . 8.1 tp -84.96 -48.7 9.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.3 ttt-85 -45.15 -67.04 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' TRP . 3.9 tp60 -60.8 -62.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.559 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 81.7 t90 -36.23 -56.8 0.75 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.2 tp -57.3 -57.17 13.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.542 ' HA ' HD12 ' A' ' 17' ' ' ILE . 57.6 mt -47.26 -41.35 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -61.35 -36.73 81.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -66.74 -41.3 88.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 14' ' ' ILE . 9.5 mt -68.66 -49.17 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -51.46 -47.21 63.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.4 p -59.61 -34.61 72.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.827 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.29 26.41 70.55 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.442 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -71.73 -39.73 69.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.441 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 2.9 m-85 -88.99 142.26 30.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.718 0.771 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 153.35 68.95 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.346 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.71 -39.73 2.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.48 ' HG ' HG23 ' A' ' 17' ' ' ILE . 13.9 tp -69.84 104.67 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.8 m -153.32 149.65 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.626 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 96.8 m95 -77.35 119.36 20.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -59.41 -28.07 66.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.456 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 30.9 p30 -122.45 178.03 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -87.45 -27.94 22.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.456 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 8.9 pt-20 -62.22 -13.04 23.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.626 ' HD2' ' CD1' ' A' ' 27' ' ' TRP . 4.3 mmmm 64.19 38.06 8.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.8 m -104.79 -38.01 6.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.413 HD12 HD21 ' A' ' 29' ' ' ASN . 4.4 mp -114.92 142.19 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -147.44 173.61 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -129.42 135.48 48.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.457 HG13 ' HD2' ' A' ' 38' ' ' PRO . 12.3 tt -115.87 134.17 22.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.727 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD2' HG13 ' A' ' 37' ' ' ILE . 53.9 Cg_endo -69.7 110.35 2.52 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.721 2.281 . . . . 0.0 112.314 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -92.17 18.03 8.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.508 ' CD ' ' HD2' ' A' ' 106' ' ' PRO . 7.0 mmtt -51.97 120.72 5.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.612 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 10.6 p-80 -84.88 -52.61 5.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.612 ' N ' ' CG ' ' A' ' 41' ' ' HIS . . . -170.69 177.94 3.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 156.14 -48.77 0.47 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.457 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 47' ' ' TYR . 17.7 mmmt -79.62 162.06 25.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.322 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -117.99 -37.65 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -95.35 11.32 33.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.462 ' HB3' ' CB ' ' A' ' 44' ' ' LYS . 22.5 p90 -72.78 173.56 8.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -110.86 108.27 18.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' GLU . 26.9 mtt85 -56.55 -54.87 40.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 28.7 tt0 -37.13 -42.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -69.33 -49.56 54.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.85 -39.28 77.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.8 17.99 22.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 50' ' ' GLU . . . -61.0 -44.23 97.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.441 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 13.9 tp -71.31 -50.3 33.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 97.1 m-85 -54.99 -42.55 72.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.553 ' HD3' ' CZ2' ' A' ' 78' ' ' TRP . 2.3 mmmp? -51.31 -64.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 62' ' ' PHE . . . -43.31 -36.55 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.642 ' CG ' HD13 ' A' ' 82' ' ' LEU . 72.9 t-105 -69.26 -48.21 62.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.69 99.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.6 HD21 ' HD1' ' A' ' 66' ' ' PHE . 6.4 mt -73.92 -39.86 63.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.411 ' CB ' ' O ' ' A' ' 58' ' ' ALA . 44.2 t80 -66.54 -56.23 11.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.532 ' HG3' ' CE2' ' A' ' 59' ' ' TRP . 15.0 mmmt -68.11 -62.32 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.15 -152.63 24.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.484 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -141.51 110.57 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.6 ' HD1' HD21 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -138.77 158.91 43.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.634 ' HB3' HD12 ' A' ' 70' ' ' ILE . 0.5 OUTLIER -122.62 136.18 54.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -87.18 137.47 32.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.55 -40.45 3.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.634 HD12 ' HB3' ' A' ' 67' ' ' ARG . 27.4 mt -76.04 -52.84 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 111.158 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -100.87 158.76 15.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.76 119.01 75.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.541 0.686 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 126.23 13.06 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.615 2.21 . . . . 0.0 112.395 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.547 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 4.9 p30 -124.73 101.99 32.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.631 0.729 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.585 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 64.8 Cg_exo -47.98 -43.35 30.37 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 64.5 Cg_exo -47.94 -47.42 19.04 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.1 m -59.41 -47.62 84.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.553 ' CZ2' ' HD3' ' A' ' 57' ' ' LYS . 10.0 m0 -64.18 -58.24 7.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.564 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 28.0 tttm -49.08 -46.18 44.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.1 m -65.23 -58.15 6.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 21.2 mmt-85 -40.35 -52.09 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.642 HD13 ' CG ' ' A' ' 59' ' ' TRP . 27.1 tp -72.6 -50.18 27.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 83' ' ' ARG . 15.8 ttt180 -44.88 -43.83 9.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.1 t -63.58 -46.53 85.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.421 ' HB1' HD22 ' A' ' 9' ' ' LEU . . . -58.54 -44.09 89.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.4 tp -53.24 -38.49 63.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -81.58 -45.02 16.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -55.79 -39.42 71.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.2 p -52.01 118.0 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -80.3 -26.69 38.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 113' ' ' VAL . 0.3 OUTLIER -81.29 16.12 1.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -121.93 139.31 53.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -109.87 149.23 30.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -91.14 111.75 23.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.819 HD12 HG12 ' A' ' 109' ' ' VAL . 15.9 mt -101.64 17.98 21.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 95' ' ' LEU . 6.9 p -34.47 -32.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 95' ' ' LEU . 30.8 mt-10 -49.61 -43.55 46.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -86.49 -25.26 25.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 p -51.95 131.41 31.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 106' ' ' PRO . 7.8 mm-40 -118.66 103.28 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.431 HD11 ' NZ ' ' A' ' 108' ' ' LYS . 7.5 mt -104.22 -11.34 17.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -90.94 13.19 17.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 104' ' ' SER . 46.4 pt -109.52 161.06 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 103' ' ' ILE . 2.8 m -36.41 -56.0 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -111.35 101.97 51.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.508 ' HD2' ' CD ' ' A' ' 40' ' ' LYS . 54.0 Cg_endo -69.75 145.87 58.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -159.36 147.03 17.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.431 ' NZ ' HD11 ' A' ' 101' ' ' LEU . 12.6 mttm -107.46 128.95 54.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.819 HG12 HD12 ' A' ' 95' ' ' LEU . 31.3 t -98.0 141.34 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -142.6 148.05 36.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.63 ' HB2' HD11 ' A' ' 95' ' ' LEU . 6.1 ttt180 -112.43 124.62 52.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.8 mt -71.85 102.25 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 91' ' ' ASP . 3.4 t -77.7 122.74 86.18 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.555 0.693 . . . . 0.0 111.159 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -172.15 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -98.86 163.01 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 24.5 p -75.7 158.85 31.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 145.93 170.01 14.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 95.26 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.613 2.208 . . . . 0.0 112.359 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 81.6 p -79.37 -31.58 42.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.4 t -137.69 130.22 29.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -72.03 166.02 23.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -56.54 -57.74 11.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.19 77.24 0.41 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 t -76.08 -56.65 4.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 110.91 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 t -69.37 128.13 35.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.87 103.72 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.11 110.0 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.9 tp -91.63 -46.11 8.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -39.88 -65.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -64.39 -52.74 56.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.459 ' CH2' ' HB2' ' A' ' 59' ' ' TRP . 88.6 t90 -39.99 -63.22 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 16' ' ' GLN . 47.5 tp -53.62 -62.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.788 ' HA ' HD12 ' A' ' 17' ' ' ILE . 72.3 mt -40.74 -40.73 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.75 -38.9 89.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 13' ' ' LEU . 56.7 mm-40 -65.18 -38.59 90.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.788 HD12 ' HA ' ' A' ' 14' ' ' ILE . 11.0 mt -66.96 -49.55 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -52.71 -51.54 59.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 p -56.13 -36.42 68.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.86 28.12 73.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -71.18 -40.74 71.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -89.22 143.18 30.63 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.681 0.753 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 152.75 69.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.634 2.222 . . . . 0.0 112.38 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.5 -42.52 2.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.0 tp -64.48 102.18 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.5 m -149.69 145.6 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.628 ' CD1' ' CD ' ' A' ' 32' ' ' LYS . 97.6 m95 -77.97 117.86 19.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.93 -27.38 65.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.455 ' CG ' ' HG2' ' A' ' 31' ' ' GLU . 41.4 p30 -123.25 178.01 5.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -85.71 -33.54 21.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.455 ' HG2' ' CG ' ' A' ' 29' ' ' ASN . 10.4 pt-20 -59.43 -14.08 10.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.628 ' CD ' ' CD1' ' A' ' 27' ' ' TRP . 23.0 mmtm 64.47 35.52 9.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.492 ' HB2' HD12 ' A' ' 34' ' ' ILE . 12.2 m -97.91 -39.92 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' ' 33' ' ' SER . 4.3 mp -115.59 141.96 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -146.2 174.53 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.82 136.25 50.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.503 ' CG1' ' HD2' ' A' ' 38' ' ' PRO . 5.2 tt -113.98 137.22 22.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.726 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.503 ' HD2' ' CG1' ' A' ' 37' ' ' ILE . 53.9 Cg_endo -69.75 113.49 3.39 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -114.71 102.46 10.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -124.91 123.09 39.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.456 ' CG ' ' H ' ' A' ' 42' ' ' ALA . 18.7 p80 -69.77 -59.64 2.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.456 ' H ' ' CG ' ' A' ' 41' ' ' HIS . . . -169.35 177.86 4.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.49 31.03 0.17 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 29.9 mmtt -152.16 169.88 21.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -145.06 137.75 26.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 55.11 32.02 17.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.566 ' CD1' ' HB3' ' A' ' 44' ' ' LYS . 13.5 p90 -89.26 166.3 13.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -80.81 102.04 9.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 50' ' ' GLU . 44.8 mtt180 -73.5 -46.47 47.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 49' ' ' ARG . 5.8 pt-20 -34.35 -42.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -69.83 -54.79 11.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -53.0 -38.33 62.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.79 17.97 22.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.84 85.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.3 tp -75.23 -44.94 43.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.531 ' CD1' ' HA ' ' A' ' 79' ' ' LYS . 68.9 m-85 -58.81 -54.88 42.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.554 ' HD2' ' CH2' ' A' ' 78' ' ' TRP . 24.1 tttm -45.85 -57.87 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' TRP . . . -44.49 -55.19 5.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.544 ' CZ2' ' HD3' ' A' ' 63' ' ' LYS . 29.3 t-105 -37.4 -59.71 0.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.06 -66.35 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.6 mt -41.64 -46.1 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 63' ' ' LYS . 1.8 t80 -57.67 -57.34 13.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.544 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 10.3 mmmm -43.14 -66.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -121.09 -129.3 3.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -136.72 106.03 6.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.582 ' CZ ' ' O ' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -118.97 158.76 25.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.582 ' O ' ' CZ ' ' A' ' 66' ' ' PHE . 0.5 OUTLIER -117.21 131.88 56.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.65 -29.13 14.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -91.82 -40.69 5.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.551 HD12 ' HG2' ' A' ' 67' ' ' ARG . 77.1 mt -82.4 -56.75 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -83.49 152.57 24.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -77.92 118.81 74.51 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.538 0.685 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 154.19 67.73 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.251 . . . . 0.0 112.314 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.545 ' C ' ' HD2' ' A' ' 76' ' ' PRO . 2.7 p30 -150.49 102.06 3.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.624 0.726 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.594 ' N ' ' CD ' ' A' ' 76' ' ' PRO . 65.5 Cg_exo -48.04 -43.26 30.93 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.325 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 75' ' ' PRO . 66.1 Cg_exo -47.98 -54.64 4.94 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.727 2.285 . . . . 0.0 112.346 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.5 m -57.0 -45.39 83.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.208 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.554 ' CH2' ' HD2' ' A' ' 57' ' ' LYS . 36.3 m0 -60.88 -57.1 14.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.531 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 12.6 ttmm -56.02 -55.71 29.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.0 m -52.71 -55.21 24.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.5 mmt-85 -43.11 -60.93 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.483 HD23 ' CE1' ' A' ' 56' ' ' PHE . 34.7 tp -62.61 -60.0 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -38.93 -44.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.1 t -65.6 -55.42 17.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.22 -43.47 64.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.0 tp -53.79 -42.37 68.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -74.15 -52.01 13.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -51.88 -46.82 64.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 m -53.48 102.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -68.17 -38.9 82.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.52 -18.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -101.54 140.14 36.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.485 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 0.6 OUTLIER -112.99 147.71 36.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.527 ' HG3' ' CZ ' ' A' ' 110' ' ' TYR . 4.0 tt0 -88.97 127.4 35.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.95 HD12 HG12 ' A' ' 109' ' ' VAL . 64.5 mt -105.75 22.89 14.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.462 ' C ' ' O ' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -31.99 -35.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 179.849 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 95' ' ' LEU . 11.9 mt-10 -47.07 -45.45 21.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -90.29 -19.43 24.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.443 ' HB2' ' HA ' ' A' ' 96' ' ' VAL . 14.2 m -52.08 137.79 26.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.645 ' HB3' HD12 ' A' ' 103' ' ' ILE . 32.7 mm-40 -128.39 104.93 7.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.3 mt -114.55 14.56 17.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -117.98 9.56 12.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.853 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.76 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -106.5 172.15 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ILE . 28.0 m -37.1 -57.81 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.477 ' O ' HD11 ' A' ' 103' ' ' ILE . 24.8 t70 -114.73 104.94 53.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 100' ' ' GLN . 53.9 Cg_endo -69.69 140.64 43.43 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.692 2.262 . . . . 0.0 112.352 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -157.81 147.94 20.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.47 ' O ' HG22 ' A' ' 37' ' ' ILE . 40.5 mttt -107.09 127.06 53.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.95 HG12 HD12 ' A' ' 95' ' ' LEU . 60.6 t -91.69 149.33 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.527 ' CZ ' ' HG3' ' A' ' 94' ' ' GLU . 14.7 m-85 -144.96 152.81 40.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.961 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.569 ' HB2' HD11 ' A' ' 95' ' ' LEU . 12.5 ttt180 -119.28 129.41 54.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.6 mt -80.67 102.06 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.485 ' CG2' ' HB2' ' A' ' 93' ' ' GLU . 2.3 t -73.46 123.88 89.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.636 0.731 . . . . 0.0 111.118 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -175.93 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 116' ' ' SER . 12.4 pt-20 -96.87 -43.58 7.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.464 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 7.5 t 54.13 42.46 31.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -130.88 -171.95 13.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.538 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 145.0 56.0 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.731 2.287 . . . . 0.0 112.326 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.4 m -86.09 140.3 30.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 27.7 t -44.21 -48.39 9.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.457 179.998 . . . . . . . . 0 0 . 1 stop_ save_